| SpectraBase Spectrum ID |
92uA2DfSOvA |
| Name |
8-(t-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/c1-14(2,3)22-9(19)7-8-15-11-10(16(8)4)12(20)18(6)13(21)17(11)5/h7H2,1-6H3 |
| InChIKey |
KWKDNMUZBNRTMS-UHFFFAOYSA-N |
| Molecular Weight |
308.338 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)CC(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-0097000000-7fca0ab622d67e5cfb2a |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
tert-butyl (1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate |
| Wiley ID |
771486 |
