| SpectraBase Spectrum ID |
I5CTQMSeXLX |
| Name |
3-(Difluoromethyl)benzonitrile |
| Alternate Name(s) |
3-[Bis(fluoranyl)methyl]benzenecarbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H5F2N |
| InChI |
InChI=1S/C8H5F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H |
| InChIKey |
IIIPGVXKHUPPJQ-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol202289z |
| Molecular Weight |
153.132 g/mol |
| SMILES |
c1cc(C(F)F)cc(c1)C#N |
| SPLASH |
splash10-0udi-0900000000-5b4084eed07bffe1e269 |
| Source of Spectrum |
A1-13-5560/SMS8-2b |
| Wiley ID |
1753845 |
