| SpectraBase Spectrum ID |
74wRHXd5yNK |
| Name |
Caffeine |
| Source of Sample |
Monsanto Company, St. Louis, Missouri |
| CAS Registry Number |
58-08-2 |
| Compound Type |
Pure |
| Copyright |
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Density |
1.23 (19/4C) |
| FEMA Number |
2224 |
| 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 |
| Melting Point |
234-236C |
| Sample Description |
HEXAGONAL PRISMS |
| 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 |
KBr WAFER |
