| SpectraBase Spectrum ID |
IapcPlfqtT6 |
| Name |
8-Butyryl-8,9-dihydrocaffeine |
| Alternate Name(s) |
8-Butyryl-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18N4O3 |
| InChI |
InChI=1S/C12H18N4O3/c1-5-6-7(17)9-13-10-8(14(9)2)11(18)16(4)12(19)15(10)3/h9,13H,5-6H2,1-4H3 |
| InChIKey |
KQSZQSIKFXXBHQ-UHFFFAOYSA-N |
| Molecular Weight |
266.301 g/mol |
| SMILES |
N1C(N(C2=C1N(C(N(C2=O)C)=O)C)C)C(=O)CCC |
| SPLASH |
splash10-014i-0090000000-9d989de12561b1d3f8ac |
| Source of Spectrum |
U-1993-1045-2 |
| Wiley ID |
765410 |
