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(Bis(benzylthio)(phenyl)methyl)benzene

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

(Bis(benzylthio)(phenyl)methyl)benzene
SpectraBase Compound ID IO2uy5ZmHZX
InChI InChI=1S/C27H24S2/c1-5-13-23(14-6-1)21-28-27(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-22-24-15-7-2-8-16-24/h1-20H,21-22H2
InChIKey MENTYQIDBMTYNE-UHFFFAOYSA-N
Mol Weight 412.61 g/mol
Molecular Formula C27H24S2
Exact Mass 412.131943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KhiLnGZ7bWB
Name (bis(Benzylthio)(phenyl)methyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.131943121 u
Formula C27H24S2
InChI InChI=1S/C27H24S2/c1-5-13-23(14-6-1)21-28-27(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-22-24-15-7-2-8-16-24/h1-20H,21-22H2
InChIKey MENTYQIDBMTYNE-UHFFFAOYSA-N
Molecular Weight 412.609 g/mol
SMILES C1(C(SCC2=CC=CC=C2)(SCC2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974111