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Hexakis(benzylthio)benzene

View entire compound with spectra: 2 NMR, and 1 FTIR

Hexakis(benzylthio)benzene
SpectraBase Compound ID wGGB23L2Ev
InChI InChI=1S/C48H42S6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30H,31-36H2
InChIKey GXJBMANBXLNSJX-UHFFFAOYSA-N
Mol Weight 811.2 g/mol
Molecular Formula C48H42S6
Exact Mass 810.161078 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1eD7KBIMlG
Name Hexakis(benzylthio)benzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 368768
CAS Registry Number 127022-77-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H42S6
InChI InChI=1S/C48H42S6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30H,31-36H2
InChIKey GXJBMANBXLNSJX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms AC1N2UPZ SCHEMBL367099 DTXSID40399344 1,2,3,4,5,6-hexakis(benzylsulfanyl)benzene
Wiley ID SIAL_13CNMR_007866