| SpectraBase Spectrum ID |
JUnsIyxKlXu |
| Name |
Theobromine |
| Source of Sample |
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| CAS Registry Number |
83-67-0 |
| Copyright |
Copyright © 1980, 1981-2024 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 |
| Melting Point |
337C |
| Solvent |
Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |
| Synonyms |
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione |
