| SpectraBase Spectrum ID |
FqXU8TNHJAS |
| Name |
8-(2'-Diisobutylamino)caffeine |
| Alternate Name(s) |
8-(diisobutylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H27N5O2 |
| InChI |
InChI=1S/C16H27N5O2/c1-10(2)8-21(9-11(3)4)15-17-13-12(18(15)5)14(22)20(7)16(23)19(13)6/h10-11H,8-9H2,1-7H3 |
| InChIKey |
FKHZWIJQWMRQOP-UHFFFAOYSA-N |
| Molecular Weight |
321.425 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)N(CC(C)C)CC(C)C |
| SPLASH |
splash10-00di-1093000000-68b4c87542e4b47fab4c |
| Source of Spectrum |
U1-1999-2424-3 |
| Wiley ID |
753719 |
