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4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid
SpectraBase Compound ID AV13IT0Bxbk
InChI InChI=1S/C22H27NO5S/c1-6-28-21(27)19-18(14-7-9-15(10-8-14)22(3,4)5)13(2)29-20(19)23-16(24)11-12-17(25)26/h7-10H,6,11-12H2,1-5H3,(H,23,24)(H,25,26)
InChIKey WOTVOXOQEDYVLF-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kso86oK0yYa
Name 4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-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/C22H27NO5S/c1-6-28-21(27)19-18(14-7-9-15(10-8-14)22(3,4)5)13(2)29-20(19)23-16(24)11-12-17(25)26/h7-10H,6,11-12H2,1-5H3,(H,23,24)(H,25,26)
InChIKey WOTVOXOQEDYVLF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15140
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/9122445; Labnumber: NSB-0095982; UZI_ID: UZI-015144
Temperature 308 °C