1H NMR Spectrum (1D, 800 MHz, D2O, predicted) (HMDB0060157)
Spectrum Details
| HMDB ID: | HMDB0060157 |
|---|---|
| Compound name: | 3(S)-Hydroxy-2(S),6-dimethyl-heptanoyl-CoA |
| Spectrum type: | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) |
Spectrum View
Spectra Viewer Instructions...
| Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. H's | Atom No. | Peak Centers (ppm) | |
| 1 | 8.49 | 1 | s | 1 | 103 | 8.49 | |
| 2 | 8.14 | 1 | s | 1 | 106 | 8.14 | |
| 3 | 4.37 | 4 | dd | 1 | 107 | 4.374.374.374.37 | |
| 4 | 4.37 | 6 | dt | 1 | 101 | 4.384.384.374.374.364.36 | |
| 5 | 4.25 | 8 | ddd | 1 | 100 | 4.264.264.264.254.254.244.244.24 | |
| 6 | 3.98 | 6 | td | 1 | 71 | 3.993.983.983.983.983.97 | |
| 7 | 3.85 | 8 | ddd | 1 | 99 | 3.863.863.863.853.853.843.843.84 | |
| 8 | 3.85 | 8 | ddd | 1 | 109 | 3.863.863.853.853.853.853.843.84 | |
| 9 | 3.85 | 2 | d | 1 | 102 | 3.853.85 | |
| 10 | 3.85 | 2 | d | 2 | 95 96 | 3.853.85 | |
| 11 | 3.85 | 1 | s | 1 | 87 | 3.85 | |
| 12 | 3.85 | 3 | t | 2 | 84 85 | 3.863.853.84 | |
| 13 | 3.85 | 3 | t | 2 | 79 80 | 3.863.853.84 | |
| 14 | 3.38 | 8 | m | 1 | 73 | 3.403.393.393.383.383.373.373.36 | |
| 15 | 3.07 | 6 | dt | 1 | 77 | 3.093.083.073.073.063.05 | |
| 16 | 2.25 | 3 | t | 2 | 82 83 | 2.262.252.24 | |
| 17 | 2.25 | 6 | dt | 1 | 78 | 2.272.262.252.252.242.23 | |
| 18 | 1.70 | 21 | m | 1 | 63 | 1.731.721.721.711.701.691.681.721.721.711.701.691.681.681.721.711.701.691.681.681.67 | |
| 19 | 1.59 | 12 | dtd | 1 | 68 | 1.611.601.601.591.591.591.591.591.591.581.581.57 | |
| 20 | 1.58 | 6 | td | 2 | 69 70 | 1.591.581.581.581.581.57 | |
| 21 | 1.12 | 2 | d | 3 | 74 75 76 | 1.121.12 | |
| 22 | 0.97 | 1 | s | 6 | 89 90 91 92 93 94 | 0.97 | |
| 23 | 0.96 | 2 | d | 3 | 60 61 62 | 0.960.96 | |
| 24 | 0.95 | 12 | dtd | 1 | 67 | 0.970.960.960.950.950.950.950.950.950.940.940.93 | |
| 25 | 0.94 | 2 | d | 3 | 64 65 66 | 0.940.94 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 1H |
| Frequency: | 800 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 11.3 KB |
| Peak Assignments (TXT) | Download file | 1.57 KB |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 299 KB |
| JCAMP-DX File (JDX) | Download file | 94.2 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available