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Benzonitrile, 4-[chloro[4-(1,1-dimethylethyl)phenyl]phenylmethyl]-
SpectraBase Compound ID 6YYTRjmdIuS
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
Mol Weight 359.9 g/mol
Molecular Formula C24H22ClN
Exact Mass 359.144077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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