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

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3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl ester
SpectraBase Compound ID JKd20AxUf6n
InChI InChI=1S/C25H25N3O3S2/c1-5-10-31-25(30)22-17(4)27-24(18(13-26)23(22)20-7-6-11-32-20)33-14-21(29)28-19-12-15(2)8-9-16(19)3/h5-9,11-12,23,27H,1,10,14H2,2-4H3,(H,28,29)
InChIKey DEKWTPFPUKVCRP-UHFFFAOYSA-N
Mol Weight 479.61 g/mol
Molecular Formula C25H25N3O3S2
Exact Mass 479.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 89Za8JqQUel
Name 3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-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/C25H25N3O3S2/c1-5-10-31-25(30)22-17(4)27-24(18(13-26)23(22)20-7-6-11-32-20)33-14-21(29)28-19-12-15(2)8-9-16(19)3/h5-9,11-12,23,27H,1,10,14H2,2-4H3,(H,28,29)
InChIKey DEKWTPFPUKVCRP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2505
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/11238878