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3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester

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3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 5nYHB67E0cX
InChI InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey MMTQPFJGLBVICG-UHFFFAOYSA-N
Mol Weight 430.49 g/mol
Molecular Formula C20H18N2O5S2
Exact Mass 430.065714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K2JXMOWoDmK
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-nitro-4-[(phenylmethyl)thio]-, ethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.065714031 u
Formula C20H18N2O5S2
InChI InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey MMTQPFJGLBVICG-UHFFFAOYSA-N
Molecular Weight 430.493 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16694
Solvent DMSO-d6
Source Vendor ID: NMR/10320359; Lab Info: DAL; Lab Number: DAL-01010036