| SpectraBase Spectrum ID |
CqVy3S7Dxif |
| Name |
8-(1'-Hydroxy-2'-oxo-1'-propylpentyl)caffeine |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24N4O4 |
| InChI |
InChI=1S/C16H24N4O4/c1-6-8-10(21)16(24,9-7-2)14-17-12-11(18(14)3)13(22)20(5)15(23)19(12)4/h24H,6-9H2,1-5H3 |
| InChIKey |
YMPSSJXSRMPGHU-UHFFFAOYSA-N |
| Molecular Weight |
336.392 g/mol |
| SMILES |
OC(c1[n](c2c(N(C)C(N(C2=O)C)=O)n1)C)(C(=O)CCC)CCC |
| SPLASH |
splash10-00kr-0092000000-c8c32465316fc410cc3a |
| Source of Spectrum |
U-1993-1046-5 |
| Synonyms |
8-(1-hydroxy-2-oxo-1-propylpentyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
765406 |
