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2,5-Bis[p-chlorophenyl]thio]benzonitrile

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

2,5-Bis[p-chlorophenyl]thio]benzonitrile
SpectraBase Compound ID Jm9605fQTcG
InChI InChI=1S/C19H11Cl2NS2/c20-14-1-5-16(6-2-14)23-18-9-10-19(13(11-18)12-22)24-17-7-3-15(21)4-8-17/h1-11H
InChIKey DHGRIZFIJOFSKK-UHFFFAOYSA-N
Mol Weight 388.33 g/mol
Molecular Formula C19H11Cl2NS2
Exact Mass 386.970997 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID pNoI6UX8Gp
Name 2,5-bis[p-Chlorophenyl]thio]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.970997106 u
Formula C19H11Cl2NS2
InChI InChI=1S/C19H11Cl2NS2/c20-14-1-5-16(6-2-14)23-18-9-10-19(13(11-18)12-22)24-17-7-3-15(21)4-8-17/h1-11H
InChIKey DHGRIZFIJOFSKK-UHFFFAOYSA-N
Molecular Weight 388.330 g/mol
SMILES C(#N)C1=C(SC2=CC=C(Cl)C=C2)C=CC(SC2=CC=C(Cl)C=C2)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908492