| SpectraBase Spectrum ID |
8zSbMNbinWG |
| Name |
4-(3,5-Bis(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-yl)benzonitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H7F6N3 |
| InChI |
InChI=1S/C12H7F6N3/c13-11(14,15)9-5-10(21-20-9,12(16,17)18)8-3-1-7(6-19)2-4-8/h1-4,21H,5H2 |
| InChIKey |
DAKWYVXLQGLJCJ-UHFFFAOYSA-N |
| Instrument Name |
Micromass GCT CA 005 and Micromass LCTTM |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000480 |
| Molecular Weight |
307.199 g/mol |
| Reported Formula |
C12H7F6N3 |
| SMILES |
N1N=C(CC1(c1ccc(cc1)C#N)C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-00kr-0390000000-95b5dd2dbe973af5d965 |
| Source of Spectrum |
CJC-39-SM46-3s |
| Wiley ID |
1856549 |
