| SpectraBase Spectrum ID |
7QiTE1fiEDL |
| Name |
8-(1-Acetoxyethyl)caffeine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16N4O4 |
| InChI |
InChI=1S/C12H16N4O4/c1-6(20-7(2)17)9-13-10-8(14(9)3)11(18)16(5)12(19)15(10)4/h6H,1-5H3 |
| InChIKey |
PWFAASOXQCQPDX-UHFFFAOYSA-N |
| Molecular Weight |
280.284 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(OC(=O)C)C |
| SPLASH |
splash10-000i-0090000000-d3980b275404d53d5e19 |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
1-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl acetate |
| Wiley ID |
771494 |
