13C NMR Spectrum (1D, 126 MHz, D2O, predicted) (NP0060184)
Spectrum Details
| NP-MRD ID: | NP0060184 |
|---|---|
| Compound name: | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid butyl ester |
| Spectrum type: | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) |
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| Peak Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. C's | Atom No. | Peak Centers (ppm) | |
| 1 | 180.09 | 1 | s | 1 | 31 | 180.09 | |
| 2 | 178.77 | 1 | s | 1 | 25 | 178.77 | |
| 3 | 170.73 | 1 | s | 1 | 28 | 170.73 | |
| 4 | 168.94 | 1 | s | 1 | 6 | 168.94 | |
| 5 | 160.86 | 1 | s | 1 | 23 | 160.86 | |
| 6 | 150.35 | 1 | s | 1 | 13 | 150.35 | |
| 7 | 146.40 | 1 | s | 2 | 17 19 | 146.40 | |
| 8 | 139.69 | 1 | s | 1 | 12 | 139.69 | |
| 9 | 137.57 | 1 | s | 1 | 14 | 137.57 | |
| 10 | 131.07 | 1 | s | 1 | 15 | 131.07 | |
| 11 | 111.82 | 1 | s | 1 | 16 | 111.82 | |
| 12 | 111.80 | 1 | s | 1 | 30 | 111.80 | |
| 13 | 107.76 | 1 | s | 1 | 21 | 107.76 | |
| 14 | 103.53 | 1 | s | 1 | 10 | 103.53 | |
| 15 | 97.78 | 1 | s | 1 | 27 | 97.78 | |
| 16 | 97.78 | 1 | s | 1 | 24 | 97.78 | |
| 17 | 75.68 | 1 | s | 1 | 8 | 75.68 | |
| 18 | 75.23 | 1 | s | 1 | 35 | 75.23 | |
| 19 | 74.56 | 1 | s | 1 | 33 | 74.56 | |
| 20 | 71.40 | 1 | s | 1 | 37 | 71.40 | |
| 21 | 64.20 | 1 | s | 1 | 4 | 64.20 | |
| 22 | 29.35 | 1 | s | 1 | 3 | 29.35 | |
| 23 | 19.10 | 1 | s | 1 | 2 | 19.10 | |
| 24 | 13.68 | 1 | s | 1 | 1 | 13.68 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 13C |
| Frequency: | 500 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 1.31 KB |
| Peak Assignments (TXT) | Download file | 964 Bytes |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 561 KB |
| JCAMP-DX File (JDX) | Download file | 157 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available