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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-1,2,3,4-tetrahydro-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID DGXOw2CEFbR
InChI InChI=1S/C18H17ClN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)
InChIKey AANFFBFJGDXJBT-UHFFFAOYSA-N
Mol Weight 408.86 g/mol
Molecular Formula C18H17ClN2O5S
Exact Mass 408.054671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ADNf2M79bew
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-1,2,3,4-tetrahydro-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/C18H17ClN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)
InChIKey AANFFBFJGDXJBT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2104
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/11238372