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(E/Z)-1-Phenyl-2-benzylthio-2-phenylthioethylene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E/Z)-1-Phenyl-2-benzylthio-2-phenylthioethylene
SpectraBase Compound ID DKV58SNeBXi
InChI InChI=1S/C21H18S2/c1-4-10-18(11-5-1)16-21(23-20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-16H,17H2/b21-16+
InChIKey YDFPIWRLXCHFBK-LTGZKZEYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H18S2
Exact Mass 334.084993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7zjDLSQoVBH
Name (E/Z)-1-Phenyl-2-benzylthio-2-phenylthioethylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.084992928 u
Formula C21H18S2
InChI InChI=1S/C21H18S2/c1-4-10-18(11-5-1)16-21(23-20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-16H,17H2/b21-16+
InChIKey YDFPIWRLXCHFBK-LTGZKZEYSA-N
Molecular Weight 334.495 g/mol
SMILES C=1(\C=C\(SC=2C=CC=CC2)SCC2=CC=CC=C2)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939205