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(E)-2-{{1-[(p-tolylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole
SpectraBase Compound ID Bv79Sj6PmNd
InChI InChI=1S/C25H22F3N3O2S2/c1-17-9-11-21(12-10-17)35(32,33)16-20(34-24-30-22-7-2-3-8-23(22)31-24)13-14-29-19-6-4-5-18(15-19)25(26,27)28/h2-13,15,29H,14,16H2,1H3,(H,30,31)/b20-13+
InChIKey BMZDUDWHEGVLRD-DEDYPNTBSA-N
Mol Weight 517.59 g/mol
Molecular Formula C25H22F3N3O2S2
Exact Mass 517.110554 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57t6N79FeBR
Name (E)-2-{{1-[(p-TOLYLSULFONYL)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 C25H22F3N3O2S2
InChI InChI=1S/C25H22F3N3O2S2/c1-17-9-11-21(12-10-17)35(32,33)16-20(34-24-30-22-7-2-3-8-23(22)31-24)13-14-29-19-6-4-5-18(15-19)25(26,27)28/h2-13,15,29H,14,16H2,1H3,(H,30,31)/b20-13+
InChIKey BMZDUDWHEGVLRD-DEDYPNTBSA-N
Instrument Name BRUKER AC-300
Melting Point 173-173.5C
Molecular Weight 517.60
Solvent Polysol; Reference=TMS; Temperature 297K