SpectraBase Spectrum ID |
E9zMfgQheWN |
Name |
(Z)-(-)-2-(4-methylphenyl)-1-phenylcyclopropanecarbonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.120449487 u |
Formula |
C17H15N |
InChI |
InChI=1S/C17H15N/c1-13-7-9-14(10-8-13)16-11-17(16,12-18)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3/t16-,17+/m0/s1 |
InChIKey |
MSBAEXCXOLPLDL-DLBZAZTESA-N |
Molecular Weight |
233.314 g/mol |
SMILES |
C1[C@]([C@@]1(C1=CC=CC=C1)C#N)(C=1C=CC(=CC1)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949886 |