13C NMR Spectrum (1D, 700 MHz, D2O, predicted) (HMDB0060157)
Spectrum Details
| HMDB ID: | HMDB0060157 |
|---|---|
| Compound name: | 3(S)-Hydroxy-2(S),6-dimethyl-heptanoyl-CoA |
| Spectrum type: | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) |
Spectrum View
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| Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. C's | Atom No. | Peak Centers (ppm) | |
| 1 | 162.36 | 1 | s | 1 | 21 | 162.36 | |
| 2 | 162.36 | 1 | s | 1 | 16 | 162.36 | |
| 3 | 155.04 | 1 | s | 1 | 51 | 155.04 | |
| 4 | 151.58 | 1 | s | 1 | 43 | 151.58 | |
| 5 | 149.93 | 1 | s | 1 | 46 | 149.93 | |
| 6 | 149.00 | 1 | s | 1 | 49 | 149.00 | |
| 7 | 145.66 | 1 | s | 1 | 45 | 145.66 | |
| 8 | 89.68 | 1 | s | 1 | 41 | 89.68 | |
| 9 | 77.65 | 1 | s | 1 | 39 | 77.65 | |
| 10 | 73.95 | 1 | s | 1 | 52 | 73.95 | |
| 11 | 73.64 | 1 | s | 1 | 23 | 73.64 | |
| 12 | 72.84 | 1 | s | 1 | 54 | 72.84 | |
| 13 | 71.13 | 1 | s | 1 | 6 | 71.13 | |
| 14 | 70.96 | 1 | s | 1 | 28 | 70.96 | |
| 15 | 64.69 | 1 | s | 1 | 38 | 64.69 | |
| 16 | 63.43 | 1 | s | 1 | 14 | 63.43 | |
| 17 | 55.15 | 1 | s | 1 | 8 | 55.15 | |
| 18 | 48.69 | 1 | s | 1 | 19 | 48.69 | |
| 19 | 39.56 | 1 | s | 1 | 25 | 39.56 | |
| 20 | 34.62 | 1 | s | 1 | 4 | 34.62 | |
| 21 | 33.50 | 1 | s | 1 | 5 | 33.50 | |
| 22 | 30.49 | 1 | s | 1 | 18 | 30.49 | |
| 23 | 29.41 | 1 | s | 1 | 13 | 29.41 | |
| 24 | 28.03 | 1 | s | 1 | 2 | 28.03 | |
| 25 | 22.54 | 1 | s | 1 | 3 | 22.54 | |
| 26 | 22.54 | 1 | s | 1 | 1 | 22.54 | |
| 27 | 21.28 | 1 | s | 2 | 26 27 | 21.28 | |
| 28 | 13.45 | 1 | s | 1 | 9 | 13.45 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 13C |
| Frequency: | 700 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 1.33 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 | 293 KB |
| JCAMP-DX File (JDX) | Download file | 85.2 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available