| SpectraBase Spectrum ID |
2RN1CAI8eyu |
| Name |
(-)-(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
161.064077425 u |
| Formula |
C10H8FN |
| InChI |
InChI=1S/C10H8FN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5H2/t7-,9-/m0/s1 |
| InChIKey |
KZHGWSPNCHGZSX-CBAPKCEASA-N |
| Molecular Weight |
161.179 g/mol |
| SMILES |
[C@@]1([C@](C#N)(C1)[H])(C=1C(F)=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90971 |
