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3-pyridinecarboxylic acid, 5-cyano-6-(ethylthio)-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID F2rkkDFV7wo
InChI InChI=1S/C17H18N2O4S/c1-4-24-16-11(9-18)13(10-7-5-6-8-12(10)22-2)14(15(20)19-16)17(21)23-3/h5-8,13-14H,4H2,1-3H3,(H,19,20)
InChIKey BUTWUVPPDRDFJO-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 I6CBYtMS1m2
Name 3-pyridinecarboxylic acid, 5-cyano-6-(ethylthio)-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-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/c1-4-24-16-11(9-18)13(10-7-5-6-8-12(10)22-2)14(15(20)19-16)17(21)23-3/h5-8,13-14H,4H2,1-3H3,(H,19,20)
InChIKey BUTWUVPPDRDFJO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2139
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/11238419