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3-pyridinecarboxylic acid, 5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-(methylthio)-2-oxo-, methyl ester
SpectraBase Compound ID C38YRMWYjK3
InChI InChI=1S/C17H18N2O4S/c1-4-23-12-8-6-5-7-10(12)13-11(9-18)16(24-3)19-15(20)14(13)17(21)22-2/h5-8,13-14H,4H2,1-3H3,(H,19,20)
InChIKey XUHOQRJQLUCHQS-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C17H18N2O4S
Exact Mass 346.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FsdAPFHYTjC
Name 3-pyridinecarboxylic acid, 5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-(methylthio)-2-oxo-, methyl ester
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/C17H18N2O4S/c1-4-23-12-8-6-5-7-10(12)13-11(9-18)16(24-3)19-15(20)14(13)17(21)22-2/h5-8,13-14H,4H2,1-3H3,(H,19,20)
InChIKey XUHOQRJQLUCHQS-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_2327
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: NMR/9253157; Labnumber: KR-0000009
Temperature 297 °C