| SpectraBase Spectrum ID |
BfC7N2TAZq1 |
| Name |
8-(t-Butyl)caffeine |
| Alternate Name(s) |
8-tert-Butyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18N4O2 |
| InChI |
InChI=1S/C12H18N4O2/c1-12(2,3)10-13-8-7(14(10)4)9(17)16(6)11(18)15(8)5/h1-6H3 |
| InChIKey |
YDVVMOBBZHFFID-UHFFFAOYSA-N |
| Molecular Weight |
250.302 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(C)(C)C |
| SPLASH |
splash10-0f79-0190000000-5fba22cdffc017d1aa28 |
| Source of Spectrum |
U-1993-1046-7 |
| Wiley ID |
765403 |
