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ethyl 2-[(3-{[(4-chlorophenyl)sulfonyl]amino}propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID HScAAS7Vxcu
InChI InChI=1S/C20H23ClN2O5S2/c1-2-28-20(25)18-15-5-3-4-6-16(15)29-19(18)23-17(24)11-12-22-30(26,27)14-9-7-13(21)8-10-14/h7-10,22H,2-6,11-12H2,1H3,(H,23,24)
InChIKey XIJPMPPKVVQKHE-UHFFFAOYSA-N
Mol Weight 470.99 g/mol
Molecular Formula C20H23ClN2O5S2
Exact Mass 470.073692 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jsd6pCd2V7L
Name ethyl 2-[(3-{[(4-chlorophenyl)sulfonyl]amino}propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C20H23ClN2O5S2/c1-2-28-20(25)18-15-5-3-4-6-16(15)29-19(18)23-17(24)11-12-22-30(26,27)14-9-7-13(21)8-10-14/h7-10,22H,2-6,11-12H2,1H3,(H,23,24)
InChIKey XIJPMPPKVVQKHE-UHFFFAOYSA-N
NMR Offset 14.7616
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_3556
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: ZI/7085837; Labnumber: DS-0000735; IOH_ID: IOH-003557
Temperature 297 °C