| SpectraBase Spectrum ID |
DXXpZPk8klh |
| Name |
Theobromine |
| Source of Sample |
Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number |
01016 |
| Lot Number |
61 |
| CAS Registry Number |
83-67-0 |
| Classification |
Diuretic |
| Compound Type |
Pure |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4O2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| InChIKey |
YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source |
Nd: YAG |
| Sadtler IR Number |
DW0515 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione |
| Technique |
FT-Raman |
