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6-{[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID CqhyiiE8ovV
InChI InChI=1S/C16H18N2O3S/c1-3-10-9(2)22-15(13(10)8-17)18-14(19)11-6-4-5-7-12(11)16(20)21/h4-5,11-12H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKey LQBNODLGZKGBHW-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID RynBRx4pww
Name 6-{[(3-cyano-4-ethyl-5-methyl-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/C16H18N2O3S/c1-3-10-9(2)22-15(13(10)8-17)18-14(19)11-6-4-5-7-12(11)16(20)21/h4-5,11-12H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKey LQBNODLGZKGBHW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14116
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/8187640; Labnumber: NSB0055121; UZI_ID: UZI-014120
Temperature 313 °C