| SpectraBase Spectrum ID |
JxA9YoNLCBY |
| Name |
8-[1-(2-Acetoxymethyl)propyl]caffeine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20N4O4 |
| InChI |
InChI=1S/C14H20N4O4/c1-6-9(7-22-8(2)19)11-15-12-10(16(11)3)13(20)18(5)14(21)17(12)4/h9H,6-7H2,1-5H3 |
| InChIKey |
RKMHBRWOVHQQAF-UHFFFAOYSA-N |
| Molecular Weight |
308.338 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(COC(=O)C)CC |
| SPLASH |
splash10-0002-0093000000-000fe5bb08cf7e06313c |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)butyl acetate |
| Wiley ID |
771488 |
![8-[1-(2-Acetoxymethyl)propyl]caffeine](/api/spectrum/JxA9YoNLCBY/structure.png?h=300&w=458 "8-[1-(2-Acetoxymethyl)propyl]caffeine")
