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N-(2-BENZIMIDAZOLYL)-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
SpectraBase Compound ID BChctPCkPFd
InChI InChI=1S/C17H19N3O3S/c1-10-6-7-12(11-8-9-24(22,23)15(10)11)16(21)20-17-18-13-4-2-3-5-14(13)19-17/h2-5,11-12H,6-9H2,1H3,(H2,18,19,20,21)/t11-,12+/m1/s1
InChIKey AURFLGKHTMBBBN-NEPJUHHUSA-N
Mol Weight 345.42 g/mol
Molecular Formula C17H19N3O3S
Exact Mass 345.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvdV2jztJsA
Name N-(2-BENZIMIDAZOLYL)-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
Compound Number XXVIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N3O3S
InChI InChI=1S/C17H19N3O3S/c1-10-6-7-12(11-8-9-24(22,23)15(10)11)16(21)20-17-18-13-4-2-3-5-14(13)19-17/h2-5,11-12H,6-9H2,1H3,(H2,18,19,20,21)/t11-,12+/m1/s1
InChIKey AURFLGKHTMBBBN-NEPJUHHUSA-N
Literature Reference Author G.N.ANDREEV,E.E.SHULTS,A.A.VOLKOV,M.M.SHAKIROV,I.Y.BAGRYANSK AYA,Y.V.GATILOV,G.A.
Literature Reference Citation RUSS.J.ORG.CHEM.,40,854(2004)
Literature Reference DOI 10.1023/B:RUJO.0000044549.81561.4f
Molecular Weight 345.416 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16637