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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2E)-3-(3-methoxy-4-propoxyphenyl)-1-oxo-2-propenyl]amino]-6-methyl-, ethyl ester
SpectraBase Compound ID B2c1hZ4YPVV
InChI InChI=1S/C25H31NO5S/c1-5-13-31-19-11-8-17(15-20(19)29-4)9-12-22(27)26-24-23(25(28)30-6-2)18-10-7-16(3)14-21(18)32-24/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3,(H,26,27)/b12-9+
InChIKey CHEXAKKFOKKEEE-FMIVXFBMSA-N
Mol Weight 457.59 g/mol
Molecular Formula C25H31NO5S
Exact Mass 457.192294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Bjbzpe1qNb
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2E)-3-(3-methoxy-4-propoxyphenyl)-1-oxo-2-propenyl]amino]-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/C25H31NO5S/c1-5-13-31-19-11-8-17(15-20(19)29-4)9-12-22(27)26-24-23(25(28)30-6-2)18-10-7-16(3)14-21(18)32-24/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3,(H,26,27)/b12-9+
InChIKey CHEXAKKFOKKEEE-FMIVXFBMSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3415
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/10238414