| SpectraBase Spectrum ID |
8J8iG9rPfgP |
| Name |
Diacetyl-xanthinol |
| Alternate Name(s) |
2-[[2-(acetyloxy)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propyl](methyl)amino]ethyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25N5O6 |
| InChI |
InChI=1S/C17H25N5O6/c1-11(23)27-7-6-19(3)8-13(28-12(2)24)9-22-10-18-15-14(22)16(25)21(5)17(26)20(15)4/h10,13H,6-9H2,1-5H3 |
| InChIKey |
KVVYPFRANPYBEA-UHFFFAOYSA-N |
| Molecular Weight |
395.416 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CC(OC(=O)C)CN(CCOC(=O)C)C)cn1 |
| SPLASH |
splash10-053i-7911000000-c90061dee70622722565 |
| Source of Spectrum |
CJ-0-30-0 |
| Wiley ID |
1366971 |
