| SpectraBase Spectrum ID |
LX8IOmNWMZy |
| Name |
(1R,2S)-1-Phenyl-2-(trifluoromethyl)-1-cyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.060883751 u |
| Formula |
C11H8F3N |
| InChI |
InChI=1S/C11H8F3N/c12-11(13,14)9-6-10(9,7-15)8-4-2-1-3-5-8/h1-5,9H,6H2/t9-,10-/m0/s1 |
| InChIKey |
CSQMIZHJBRMQCH-UWVGGRQHSA-N |
| Molecular Weight |
211.187 g/mol |
| SMILES |
[C@]1([C@@](C(F)(F)F)(C1)[H])(C#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935474 |
