| SpectraBase Spectrum ID |
E1f7deZ36Is |
| Name |
9-(Phenylmethyl)-2-(trifluoromethyl)-3H-purin-6-one |
| Alternate Name(s) |
9-Benzyl-2-(trifluoromethyl)-3H-purin-6-one |
| CAS Registry Number |
112779-09-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9F3N4O |
| InChI |
InChI=1S/C13H9F3N4O/c14-13(15,16)12-18-10-9(11(21)19-12)17-7-20(10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19,21) |
| InChIKey |
PDGDJVYIXFULSD-UHFFFAOYSA-N |
| Molecular Weight |
294.237 g/mol |
| SMILES |
N1C(c2c(N=C1C(F)(F)F)[n](cn2)Cc1ccccc1)=O |
| SPLASH |
splash10-0006-9010000000-e139b209381afb90427c |
| Source of Spectrum |
Y-24-861-11 |
| Wiley ID |
1296791 |
