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(2E)-4-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
SpectraBase Compound ID CRVP19n5j71
InChI InChI=1S/C18H16ClNO5S/c1-3-25-18(24)16-15(11-4-6-12(19)7-5-11)10(2)26-17(16)20-13(21)8-9-14(22)23/h4-9H,3H2,1-2H3,(H,20,21)(H,22,23)/b9-8+
InChIKey QNKWEGQIGLNNOJ-CMDGGOBGSA-N
Mol Weight 393.84 g/mol
Molecular Formula C18H16ClNO5S
Exact Mass 393.043771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3zQAxYACMZj
Name (2E)-4-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
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/C18H16ClNO5S/c1-3-25-18(24)16-15(11-4-6-12(19)7-5-11)10(2)26-17(16)20-13(21)8-9-14(22)23/h4-9H,3H2,1-2H3,(H,20,21)(H,22,23)/b9-8+
InChIKey QNKWEGQIGLNNOJ-CMDGGOBGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20488
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: UZI/9299836; Labnumber: U_AM_ACK/045998; UZI_ID: UZI-020496
Synonyms 4-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
Temperature 318 °C