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3-(Phenylthio)-4-(pyridin-2-yl)benzonitrile

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

3-(Phenylthio)-4-(pyridin-2-yl)benzonitrile
SpectraBase Compound ID DhgY5vd4DGz
InChI InChI=1S/C18H12N2S/c19-13-14-9-10-16(17-8-4-5-11-20-17)18(12-14)21-15-6-2-1-3-7-15/h1-12H
InChIKey VFWPBRZCWMURIA-UHFFFAOYSA-N
Mol Weight 288.37 g/mol
Molecular Formula C18H12N2S
Exact Mass 288.07212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Av5mLTZtY7y
Name 3-(Phenylthio)-4-(pyridin-2-yl)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.072119568 u
Formula C18H12N2S
InChI InChI=1S/C18H12N2S/c19-13-14-9-10-16(17-8-4-5-11-20-17)18(12-14)21-15-6-2-1-3-7-15/h1-12H
InChIKey VFWPBRZCWMURIA-UHFFFAOYSA-N
SMILES C(C=1C=C(C(=CC1)C=1C=CC=CN1)SC=1C=CC=CC1)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859967