| SpectraBase Spectrum ID |
3ifFj9qJxVU |
| Name |
m-Trifluoromethylbenzonitrile |
| Alternate Name(s) |
3-(Trifluoromethyl)benzonitrile
.alpha.,.alpha.,.alpha.-Trifluoro-m-tolunitrile
3-Trifluoromethylbenzonitrile
Benzonitrile, 3-(trifluoromethyl)-
3-(CF3)-C6H4-CN
3-(Trifluoromethyl)benzenecarbonitrile |
| CAS Registry Number |
368-77-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H4F3N |
| InChI |
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H |
| InChIKey |
OGOBINRVCUWLGN-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol501967c |
| Molecular Weight |
171.122 g/mol |
| SMILES |
c1(cc(ccc1)C(F)(F)F)C#N |
| SPLASH |
splash10-00di-1900000000-7901f6b674b4e815b2d1 |
| Source of Spectrum |
A1-16-4268/SMS21-arb6 |
| Wiley ID |
1751169 |
