| SpectraBase Spectrum ID |
G3As5CT5GH4 |
| Name |
8-(Ethoxycarbonylmethyl)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/c1-5-20-8(17)6-7-13-10-9(14(7)2)11(18)16(4)12(19)15(10)3/h5-6H2,1-4H3 |
| InChIKey |
DQQMWZQAIKIKGV-UHFFFAOYSA-N |
| Molecular Weight |
280.284 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)CC(=O)OCC |
| SPLASH |
splash10-053r-0090000000-5917a77ea263304f661b |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
ethyl (1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate |
| Wiley ID |
771495 |
