| SpectraBase Spectrum ID |
AeplvWyogzm |
| Name |
Caffeine |
| Source of Sample |
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Boiling Point |
89C/15mm |
| CAS Registry Number |
58-08-2 |
| Comments |
Tentative assignment |
| Copyright |
Copyright © 1980, 1981-2024 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 |
| Melting Point |
234-236.5C |
| Solvent |
Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| 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 |
