| SpectraBase Spectrum ID |
3PAOvdJOVSZ |
| Name |
Caffeine |
| Source of Sample |
Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number |
01728 |
| Lot Number |
391 |
| CAS Registry Number |
58-08-2 |
| Classification |
Anorexigenic Agents; Central Nervous System Stimulants; Phosphodiesterase Inhibitors |
| Compound Type |
Pure |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H10N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source |
Nd: YAG |
| Raman Laser Wavelength |
1064 |
| Sadtler IR Number |
DW0029 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
1,3,7-Trimethylxanthine
Methyltheobromine
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1,3,7-Trimethyl-2,6-dioxopurine |
| Technique |
FT-Raman |
