| SpectraBase Spectrum ID |
5o5PmoHYmhV |
| Name |
4-(3-Cyano-1,1,1-trifluoropropan-2-yl)benzonitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H7F3N2 |
| InChI |
InChI=1S/C11H7F3N2/c12-11(13,14)10(5-6-15)9-3-1-8(7-16)2-4-9/h1-4,10H,5H2 |
| InChIKey |
MKWIAJDTQRVJKZ-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
224.186 g/mol |
| Reported Formula |
C11H7F3N2 |
| SMILES |
c1cc(ccc1C#N)C(C(F)(F)F)CC#N |
| SPLASH |
splash10-001i-0920000000-c8eb942801536b2f0e0e |
| Source of Spectrum |
A1-23-SM33-2e |
| Wiley ID |
1870233 |
