| SpectraBase Spectrum ID |
Gsa64iEDJLy |
| Name |
8-Acetyl-8,9-dihydrocaffeine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H14N4O3 |
| InChI |
InChI=1S/C10H14N4O3/c1-5(15)7-11-8-6(12(7)2)9(16)14(4)10(17)13(8)3/h7,11H,1-4H3 |
| InChIKey |
ROQHIKSWPOBCFE-UHFFFAOYSA-N |
| Molecular Weight |
238.247 g/mol |
| SMILES |
N1C(N(C2=C1N(C(N(C2=O)C)=O)C)C)C(=O)C |
| SPLASH |
splash10-000i-0090000000-44e22e9574471bdffa6c |
| Source of Spectrum |
U-1993-1045-2 |
| Synonyms |
8-Acetyl-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione |
| Wiley ID |
765412 |
