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4-{[4-(2,4-dichlorophenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
SpectraBase Compound ID C88a3HMkno6
InChI InChI=1S/C18H17Cl2NO5S/c1-9(2)26-18(25)16-12(11-4-3-10(19)7-13(11)20)8-27-17(16)21-14(22)5-6-15(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey SWMPXKSVRLQCOW-UHFFFAOYSA-N
Mol Weight 430.3 g/mol
Molecular Formula C18H17Cl2NO5S
Exact Mass 429.020449 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Aybp2xFsfj
Name 4-{[4-(2,4-dichlorophenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic 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/C18H17Cl2NO5S/c1-9(2)26-18(25)16-12(11-4-3-10(19)7-13(11)20)8-27-17(16)21-14(22)5-6-15(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey SWMPXKSVRLQCOW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15027
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/9097701; Labnumber: NSB-0009783; UZI_ID: UZI-015031
Temperature 308 °C