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methyl {[5-(anilinocarbonyl)-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate
SpectraBase Compound ID 4uqxQgcUJw5
InChI InChI=1S/C23H20ClN3O3S/c1-14-20(22(29)27-15-8-4-3-5-9-15)21(16-10-6-7-11-18(16)24)17(12-25)23(26-14)31-13-19(28)30-2/h3-11,21,26H,13H2,1-2H3,(H,27,29)
InChIKey IOZGWUQDUDSHAQ-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fx4bP2cGscK
Name methyl {[5-(anilinocarbonyl)-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate
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/C23H20ClN3O3S/c1-14-20(22(29)27-15-8-4-3-5-9-15)21(16-10-6-7-11-18(16)24)17(12-25)23(26-14)31-13-19(28)30-2/h3-11,21,26H,13H2,1-2H3,(H,27,29)
InChIKey IOZGWUQDUDSHAQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1373
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/9258399; Labnumber: BAS0865757
Temperature 303 °C