| SpectraBase Spectrum ID |
3Ml3ySXrEHW |
| Name |
3-Methyl-4-(pentafluoroethyl)benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H6F5N |
| InChI |
InChI=1S/C10H6F5N/c1-6-4-7(5-16)2-3-8(6)9(11,12)10(13,14)15/h2-4H,1H3 |
| InChIKey |
BWVIXLMLQLDMSN-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.201201040 |
| Molecular Weight |
235.157 g/mol |
| SMILES |
C(F)(c1c(cc(cc1)C#N)C)(F)C(F)(F)F |
| SPLASH |
splash10-014i-0920000000-56eeb4b03dada7bb2fba |
| Source of Spectrum |
ASC-355-996/SM9-3a |
| Synonyms |
3-Methyl-4-(perfluoroethyl)benzonitrile |
| Wiley ID |
1761976 |
