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acetic acid [(2S,3S)-2-(1H-benzimidazol-2-yl)-3-methyl-tetrahydrothiophen-3-yl] ester
SpectraBase Compound ID BO7kCGbez2H
InChI InChI=1S/C14H16N2O2S/c1-9(17)18-14(2)7-8-19-12(14)13-15-10-5-3-4-6-11(10)16-13/h3-6,12H,7-8H2,1-2H3,(H,15,16)/t12-,14-/m0/s1
InChIKey VRIIZUXDMHYIPP-JSGCOSHPSA-N
Mol Weight 276.35 g/mol
Molecular Formula C14H16N2O2S
Exact Mass 276.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENR1a5Szbdf
Name acetic acid [(2S,3S)-2-(1H-benzimidazol-2-yl)-3-methyl-tetrahydrothiophen-3-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2O2S
InChI InChI=1S/C14H16N2O2S/c1-9(17)18-14(2)7-8-19-12(14)13-15-10-5-3-4-6-11(10)16-13/h3-6,12H,7-8H2,1-2H3,(H,15,16)/t12-,14-/m0/s1
InChIKey VRIIZUXDMHYIPP-JSGCOSHPSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 276.353 g/mol
Source File Reference MHKO9348