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6-{[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID EzmgGBdE3hE
InChI InChI=1S/C20H18N2O3S/c1-12-17(13-7-3-2-4-8-13)16(11-21)19(26-12)22-18(23)14-9-5-6-10-15(14)20(24)25/h2-8,14-15H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKey JEISVYDKXAUSCZ-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C20H18N2O3S
Exact Mass 366.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DWexEaBl81N
Name 6-{[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]carbonyl}-3-cyclohexene-1-carboxylic 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/C20H18N2O3S/c1-12-17(13-7-3-2-4-8-13)16(11-21)19(26-12)22-18(23)14-9-5-6-10-15(14)20(24)25/h2-8,14-15H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKey JEISVYDKXAUSCZ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19550
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/9225138; Labnumber: U_AM_ACK/001649; UZI_ID: UZI-019557
Temperature 308 °C