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.alpha.-(Phenylthio) (2'-phenylethyl) cyanide

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

.alpha.-(Phenylthio) (2'-phenylethyl) cyanide
SpectraBase Compound ID 4z92Ge0OrUX
InChI InChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey YMXOXWHWWTXKCQ-UHFFFAOYSA-N
Mol Weight 239.34 g/mol
Molecular Formula C15H13NS
Exact Mass 239.076871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DJm2S4o0Afy
Name .alpha.-(Phenylthio) (2'-phenylethyl) cyanide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.076870597 u
Formula C15H13NS
InChI InChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey YMXOXWHWWTXKCQ-UHFFFAOYSA-N
Molecular Weight 239.336 g/mol
SMILES C(#N)C(SC1=CC=CC=C1)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959282