1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) (HMDB0001847)
Spectrum Details
| HMDB ID: | HMDB0001847 |
|---|---|
| Compound name: | Caffeine |
| Spectrum type: | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) |
| Disclaimer: | While we have made our best-effort to label most spectral peaks, certain spectral features may not be fully annotated in all NMR spectra |
Spectrum View
Experimental Conditions
| Sample Concentration: | 50.0 mM |
|---|---|
| Solvent: | CDCl3 |
| Sample Mass: | 6.4 mg |
| Sample Assessment: | Excellent |
| Spectrum Assessment: | Excellent |
| Instrument Type: | Varian |
| Nucleus: | 1H |
| Frequency: | 500 MHz |
| Sample pH: | Not Applic |
| Sample Temperature: | 25.0 Celsius |
| Chemical Shift Reference: | CHCl3 |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of chemical shift values for the spectrum (TXT) | Download file | 495 Bytes |
| Peak Assignments (PNG) | Download file | 102 KB |
| Spectra Image with Peak Assignments (PNG) | Download file | 102 KB |
| Raw Spectrum Image | Not Available | Not Available |
| nmrML File (NMRML) | Download file | 1.34 MB |
| JCAMP-DX File (JDX) | Download file | 75.7 KB |
| Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP) | Download file | 92.9 KB |
| Validation Report (TAR) | Download file | 20.5 KB |
References
- Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I: HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi: 10.1093/nar/gkn810. Epub 2008 Oct 25. [PubMed: 18953024 ] Error displaying reference