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4-{[4-(2-chlorophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
SpectraBase Compound ID LZw7IKxAXO8
InChI InChI=1S/C17H16ClNO5S/c1-2-24-17(23)15-11(10-5-3-4-6-12(10)18)9-25-16(15)19-13(20)7-8-14(21)22/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKey AYPUXVCGGJUZGT-UHFFFAOYSA-N
Mol Weight 381.83 g/mol
Molecular Formula C17H16ClNO5S
Exact Mass 381.043771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HarMTE61bjJ
Name 4-{[4-(2-chlorophenyl)-3-(ethoxycarbonyl)-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/C17H16ClNO5S/c1-2-24-17(23)15-11(10-5-3-4-6-12(10)18)9-25-16(15)19-13(20)7-8-14(21)22/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,21,22)
InChIKey AYPUXVCGGJUZGT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20187
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/9244044; Labnumber: U_AM_ACK/031061; UZI_ID: UZI-020195
Temperature 318 °C