| SpectraBase Spectrum ID |
3XkQMQAFtRK |
| Name |
2-(2-Chlorophenyl)cyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
177.034526962 u |
| Formula |
C10H8ClN |
| InChI |
InChI=1S/C10H8ClN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5H2/t7-,9-/m0/s1 |
| InChIKey |
IQDFJPIPFUQMLO-CBAPKCEASA-N |
| Molecular Weight |
177.634 g/mol |
| SMILES |
[C@@]1([C@](C#N)(C1)[H])(C1=C(Cl)C=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935066 |
