Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3015.2 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 2655.8 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3502.0 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 3009.9 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 2632.2 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 3371.9 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 3139.1 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 2710.3 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 3049.9 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 2943.9 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 2768.6 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3360.1 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 3007.6 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 2761.1 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 3286.2 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 3056.8 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 2827.0 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C)C(F)=C3)OC2=C1F | 2875.0 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 3080.3 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 2831.8 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 2912.9 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 3057.3 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 3037.9 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C)[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(F)=C3)OC2=C1F | 2775.6 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3238.2 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 2820.5 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3587.0 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3234.6 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 2829.5 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,1TBDMS,isomer #2 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3474.3 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3580.8 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3084.4 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #1 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3281.6 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3377.1 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3136.1 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #2 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N)C(F)=C3)OC2=C1F | 3491.0 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3438.7 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3136.3 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,2TBDMS,isomer #3 | CC1=C(F)C(N)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3428.5 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3649.7 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3430.9 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3177.8 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3702.3 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3437.5 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,3TBDMS,isomer #2 | CC1=C(F)C(N[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3209.2 | Standard polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3827.8 | Semi standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3774.9 | Standard non polar | 33892256 |
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one,4TBDMS,isomer #1 | CC1=C(F)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(F)=C3)OC2=C1F | 3147.6 | Standard polar | 33892256 |