SpectraBase Spectrum ID |
JQ3oynyc5vE |
Name |
Benzonitrile, 4-[chloro[4-(1,1-dimethylethyl)phenyl]phenylmethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
359.144077412 u |
Formula |
C24H22ClN |
InChI |
InChI=1S/C24H22ClN/c1-23(2,3)19-13-15-22(16-14-19)24(25,20-7-5-4-6-8-20)21-11-9-18(17-26)10-12-21/h4-16H,1-3H3 |
InChIKey |
OOCRZXJVCCHLPB-UHFFFAOYSA-N |
Molecular Weight |
359.900 g/mol |
SMILES |
C(C1=CC=C(C(C)(C)C)C=C1)(C1=CC=C(C#N)C=C1)(C1=CC=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86381 |