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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester
SpectraBase Compound ID 1imLr0g4YhJ
InChI InChI=1S/C21H22ClNO3S/c1-3-26-21(25)19-16-10-4-13(2)12-17(16)27-20(19)23-18(24)11-7-14-5-8-15(22)9-6-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,24)/b11-7+
InChIKey ZVPXIXGMIRMTDI-YRNVUSSQSA-N
Mol Weight 403.92 g/mol
Molecular Formula C21H22ClNO3S
Exact Mass 403.100892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOZ3vYyoh3T
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl 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/C21H22ClNO3S/c1-3-26-21(25)19-16-10-4-13(2)12-17(16)27-20(19)23-18(24)11-7-14-5-8-15(22)9-6-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,24)/b11-7+
InChIKey ZVPXIXGMIRMTDI-YRNVUSSQSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3353
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/10238333