| SpectraBase Spectrum ID |
7ucCPAw9NJ0 |
| Name |
Caffeine |
| Source of Sample |
Alfa Aesar, Thermo Fisher Scientific |
| Catalog Number |
39214 |
| Lot Number |
G31Z005 |
| CAS Registry Number |
58-08-2 |
| Classification |
Flavors and Fragrances |
| Color Properties |
White |
| Copyright |
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Instrument Name |
Bruker Tensor 27 FT-IR |
| Molecular Weight |
194.193 g/mol |
| Physical State |
Solid |
| Purity |
99.7% |
| Sample Type |
Organic |
| Source of Spectrum |
Bio-Rad Laboratories, Inc. |
| 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 |
KBr1 |
