| SpectraBase Spectrum ID |
L5ge2bmsDBI |
| Name |
8-(Butoxycarbonylmethyl)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/c1-5-6-7-22-10(19)8-9-15-12-11(16(9)2)13(20)18(4)14(21)17(12)3/h5-8H2,1-4H3 |
| InChIKey |
NQEDRYPLOMSMEI-UHFFFAOYSA-N |
| Molecular Weight |
308.338 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)CC(=O)OCCCC |
| SPLASH |
splash10-0a4i-0069000000-952907669c8bbb061ee0 |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
butyl (1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate |
| Wiley ID |
771490 |
