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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl ester
SpectraBase Compound ID HVNpkwkgEnA
InChI InChI=1S/C25H24ClN3O5S2/c1-5-8-34-25(31)22-14(2)28-24(15(12-27)23(22)20-7-6-9-35-20)36-13-21(30)29-17-11-18(32-3)16(26)10-19(17)33-4/h5-7,9-11,23,28H,1,8,13H2,2-4H3,(H,29,30)
InChIKey BXNCVLHDIJOFGI-UHFFFAOYSA-N
Mol Weight 546.06 g/mol
Molecular Formula C25H24ClN3O5S2
Exact Mass 545.084591 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EbZRSc1ik6P
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)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/C25H24ClN3O5S2/c1-5-8-34-25(31)22-14(2)28-24(15(12-27)23(22)20-7-6-9-35-20)36-13-21(30)29-17-11-18(32-3)16(26)10-19(17)33-4/h5-7,9-11,23,28H,1,8,13H2,2-4H3,(H,29,30)
InChIKey BXNCVLHDIJOFGI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2511
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/11238884