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3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl ester

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3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl ester
SpectraBase Compound ID b0yPyqp53g
InChI InChI=1S/C24H22ClN3O3S2/c1-4-10-31-24(30)21-15(3)27-23(16(12-26)22(21)19-9-6-11-32-19)33-13-20(29)28-18-8-5-7-17(25)14(18)2/h4-9,11,22,27H,1,10,13H2,2-3H3,(H,28,29)
InChIKey WPMGMGBVEJWEQJ-UHFFFAOYSA-N
Mol Weight 500.03 g/mol
Molecular Formula C24H22ClN3O3S2
Exact Mass 499.079112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTFIQ0bKNIW
Name 3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl 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/C24H22ClN3O3S2/c1-4-10-31-24(30)21-15(3)27-23(16(12-26)22(21)19-9-6-11-32-19)33-13-20(29)28-18-8-5-7-17(25)14(18)2/h4-9,11,22,27H,1,10,13H2,2-3H3,(H,28,29)
InChIKey WPMGMGBVEJWEQJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2517
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/11238890