| SpectraBase Spectrum ID |
GQSqMpE7JFd |
| Name |
[2-Trifluoromethyl-1-(4-chlorophenyl)cyclopropyl cyanide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.021911418 u |
| Formula |
C11H7ClF3N |
| InChI |
InChI=1S/C11H7ClF3N/c12-8-3-1-7(2-4-8)10(6-16)5-9(10)11(13,14)15/h1-4,9H,5H2/t9-,10-/m0/s1 |
| InChIKey |
IQOGQJXXTNWYAF-UWVGGRQHSA-N |
| Molecular Weight |
245.632 g/mol |
| SMILES |
[C@]1([C@@](C(F)(F)F)(C1)[H])(C#N)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85352 |
