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2-({[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID JkcOenBmMm0
InChI InChI=1S/C21H22N2O4S/c1-12-18(13-7-9-14(27-2)10-8-13)17(11-22)20(28-12)23-19(24)15-5-3-4-6-16(15)21(25)26/h7-10,15-16H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKey DQAASANCZGVMLL-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JK0lBWpHNK2
Name 2-({[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic 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/C21H22N2O4S/c1-12-18(13-7-9-14(27-2)10-8-13)17(11-22)20(28-12)23-19(24)15-5-3-4-6-16(15)21(25)26/h7-10,15-16H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKey DQAASANCZGVMLL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16033
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/1009397; Labnumber: NSB-0100639; UZI_ID: UZI-016037
Temperature 318 °C