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5-[(1H-benzimidazol-2-ylthio)methyl]-3-ethyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester
SpectraBase Compound ID HppYP1gHeer
InChI InChI=1S/C17H20N2O4S/c1-3-17(14(20)22-4-2)9-11(23-15(17)21)10-24-16-18-12-7-5-6-8-13(12)19-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKey MAXUMEIVVUHYLR-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KJ1eAE82xm
Name ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxooxolane-3-carboxylate ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxo-tetrahydrofuran-3-carboxylate 5-[(1H-benzimidazol-2-ylthio)methyl]-3-ethyl-2-oxo-3-tetrahydrofurancarboxylic acid ethyl ester 5-[(1H-benzimidazol-2-ylthio)methyl]-3-ethyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-ethyl-2-oxo-oxolane-3-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.114378302 u
Formula C17H20N2O4S
InChI InChI=1S/C17H20N2O4S/c1-3-17(14(20)22-4-2)9-11(23-15(17)21)10-24-16-18-12-7-5-6-8-13(12)19-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKey MAXUMEIVVUHYLR-UHFFFAOYSA-N
Molecular Weight 348.417 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10453
Solvent DMSO-d6
Source Vendor ID: ZI/8165112; Lab Info: ART; Lab Number: ART-zal0119