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benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID 4wXtmvuqY8W
InChI InChI=1S/C20H20BrNO4S/c1-25-15-9-7-12(11-14(15)21)8-10-17(23)22-19-18(20(24)26-2)13-5-3-4-6-16(13)27-19/h7-11H,3-6H2,1-2H3,(H,22,23)/b10-8+
InChIKey HGNGDZZTRDRANO-CSKARUKUSA-N
Mol Weight 450.35 g/mol
Molecular Formula C20H20BrNO4S
Exact Mass 449.029642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEQT4VUHnyz
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H20BrNO4S/c1-25-15-9-7-12(11-14(15)21)8-10-17(23)22-19-18(20(24)26-2)13-5-3-4-6-16(13)27-19/h7-11H,3-6H2,1-2H3,(H,22,23)/b10-8+
InChIKey HGNGDZZTRDRANO-CSKARUKUSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3356
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10238336