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3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)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-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propenyl ester
SpectraBase Compound ID 39WkFw25sSh
InChI InChI=1S/C23H20BrN3O3S2/c1-3-10-30-23(29)20-14(2)26-22(17(12-25)21(20)18-5-4-11-31-18)32-13-19(28)27-16-8-6-15(24)7-9-16/h3-9,11,21,26H,1,10,13H2,2H3,(H,27,28)
InChIKey SPRKXSORIDRHDW-UHFFFAOYSA-N
Mol Weight 530.46 g/mol
Molecular Formula C23H20BrN3O3S2
Exact Mass 529.012947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3dVlfIK8FHU
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)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/C23H20BrN3O3S2/c1-3-10-30-23(29)20-14(2)26-22(17(12-25)21(20)18-5-4-11-31-18)32-13-19(28)27-16-8-6-15(24)7-9-16/h3-9,11,21,26H,1,10,13H2,2H3,(H,27,28)
InChIKey SPRKXSORIDRHDW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2516
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/11238889