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(E)-2-{{3-(p-tolylsulfonyl)-1-[(p-tolylsulfonyl)methyl]propenyl}thio}benzimidazole

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

(E)-2-{{3-(p-tolylsulfonyl)-1-[(p-tolylsulfonyl)methyl]propenyl}thio}benzimidazole
SpectraBase Compound ID 7Wk5NRvaUPe
InChI InChI=1S/C25H24N2O4S3/c1-18-7-11-21(12-8-18)33(28,29)16-15-20(17-34(30,31)22-13-9-19(2)10-14-22)32-25-26-23-5-3-4-6-24(23)27-25/h3-15H,16-17H2,1-2H3,(H,26,27)/b20-15+
InChIKey SZAAYGIGFJZJLL-HMMYKYKNSA-N
Mol Weight 512.66 g/mol
Molecular Formula C25H24N2O4S3
Exact Mass 512.089821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8NuGcpN4HRy
Name (E)-2-{{3-(p-TOLYLSULFONYL)-1-[(p-TOLYLSULFONYL)METHYL]PROPENYL}THIO}BENZIMIDAZOLE
Source of Sample B. S. Thyagarajan, University of Texas at San Antonio, San Antonio, Texas
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O4S3
InChI InChI=1S/C25H24N2O4S3/c1-18-7-11-21(12-8-18)33(28,29)16-15-20(17-34(30,31)22-13-9-19(2)10-14-22)32-25-26-23-5-3-4-6-24(23)27-25/h3-15H,16-17H2,1-2H3,(H,26,27)/b20-15+
InChIKey SZAAYGIGFJZJLL-HMMYKYKNSA-N
Instrument Name BRUKER AC-300
Molecular Weight 512.67
Solvent CDCl3; Reference=TMS; Temperature 297K