13C NMR Spectrum (1D, 700 MHz, D2O, predicted) (FDB002100)
Spectrum Details
| FooDB ID: | FDB002100 |
|---|---|
| Compound name: | Caffeine |
| Spectrum type: | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) |
Spectrum View
Spectra Viewer Instructions...
| Assignment Table | |||||||
|---|---|---|---|---|---|---|---|
| Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. C's | Atom No. | Peak Centers (ppm) | |
| 1 | 159.99 | 1 | s | 1 | 3 | 159.99 | |
| 2 | 151.90 | 1 | s | 1 | 13 | 151.90 | |
| 3 | 151.58 | 1 | s | 1 | 8 | 151.58 | |
| 4 | 151.45 | 1 | s | 1 | 6 | 151.45 | |
| 5 | 99.90 | 1 | s | 1 | 5 | 99.90 | |
| 6 | 37.36 | 1 | s | 1 | 10 | 37.36 | |
| 7 | 32.14 | 1 | s | 1 | 12 | 32.14 | |
| 8 | 28.23 | 1 | s | 1 | 1 | 28.23 | |
Experimental Conditions
| Solvent: | D2O |
|---|---|
| Nucleus: | 13C |
| Frequency: | 700 MHz |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Peak List (TXT) | Download file | 418 Bytes |
| Peak Assignments (TXT) | Download file | 351 Bytes |
| Spectra Image with Peak Assignments | Not Available | Not Available |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 552 KB |
| JCAMP-DX File (JDX) | Download file | 74.9 KB |
| Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
| Validation Report | Not Available | Not Available |
References
Not Available