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[bis(Benzylthio)methyl]benzene

View entire compound with spectra: 1 NMR, and 1 FTIR

[bis(Benzylthio)methyl]benzene
SpectraBase Compound ID Lb44mjU0m8X
InChI InChI=1S/C21H20S2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey BEEFCYOEIGRSEM-UHFFFAOYSA-N
Mol Weight 336.51 g/mol
Molecular Formula C21H20S2
Exact Mass 336.100643 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ar2w9D26qOn
Name [bis(Benzylthio)methyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.100642992 u
Formula C21H20S2
InChI InChI=1S/C21H20S2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey BEEFCYOEIGRSEM-UHFFFAOYSA-N
Molecular Weight 336.511 g/mol
SMILES C1(=CC=CC=C1)C(SCC1=CC=CC=C1)SCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96832