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(E)-2-{{1-[(phenylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole
SpectraBase Compound ID Ah40Rm0CNHc
InChI InChI=1S/C24H20F3N3O2S2/c25-24(26,27)17-7-6-8-18(15-17)28-14-13-19(16-34(31,32)20-9-2-1-3-10-20)33-23-29-21-11-4-5-12-22(21)30-23/h1-13,15,28H,14,16H2,(H,29,30)/b19-13+
InChIKey CQBRHPUZRHSVNK-CPNJWEJPSA-N
Mol Weight 503.56 g/mol
Molecular Formula C24H20F3N3O2S2
Exact Mass 503.094904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYy9osmVolp
Name (E)-2-{{1-[(PHENYLSULFONYL)METHYL]-3-(alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINO)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 C24H20F3N3O2S2
InChI InChI=1S/C24H20F3N3O2S2/c25-24(26,27)17-7-6-8-18(15-17)28-14-13-19(16-34(31,32)20-9-2-1-3-10-20)33-23-29-21-11-4-5-12-22(21)30-23/h1-13,15,28H,14,16H2,(H,29,30)/b19-13+
InChIKey CQBRHPUZRHSVNK-CPNJWEJPSA-N
Instrument Name BRUKER AC-300
Melting Point 153-154C
Molecular Weight 503.57
Solvent Polysol; Reference=TMS; Temperature 297K