| SpectraBase Spectrum ID |
8NO1FZYZwBP |
| Name |
6-(Trifluoromethyl)purine |
| Alternate Name(s) |
6-(trifluoromethyl)-7H-purine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H3F3N4 |
| InChI |
InChI=1S/C6H3F3N4/c7-6(8,9)4-3-5(12-1-10-3)13-2-11-4/h1-2H,(H,10,11,12,13) |
| InChIKey |
RPGVDXOVVBWOIH-UHFFFAOYSA-N |
| Molecular Weight |
188.113 g/mol |
| SMILES |
[nH]1cnc2ncnc(c12)C(F)(F)F |
| SPLASH |
splash10-00kr-0900000000-972373b3f334c4061298 |
| Source of Spectrum |
G-64-238-8 |
| Wiley ID |
749528 |
