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4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
SpectraBase Compound ID B5QGvMDOga4
InChI InChI=1S/C23H20ClNOS/c1-18-12-14-21(15-13-18)27(26)22(24)23(16-17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKey OAMSKAACXALFGR-UHFFFAOYSA-N
Mol Weight 393.93 g/mol
Molecular Formula C23H20ClNOS
Exact Mass 393.095413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F02zQAMvMm1
Name 4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.095413141 u
Formula C23H20ClNOS
InChI InChI=1S/C23H20ClNOS/c1-18-12-14-21(15-13-18)27(26)22(24)23(16-17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKey OAMSKAACXALFGR-UHFFFAOYSA-N
Molecular Weight 393.932 g/mol
SMILES C(S(C=1C=CC(=CC1)C)=O)(C(C1=CC=CC=C1)(C=1C=CC=CC1)CC#N)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916466