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5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

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5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID Ha5IOOOC8e2
InChI InChI=1S/C31H30N4O3S/c1-19-14-15-23(16-20(19)2)34-27(36)18-39-31-24(17-32)29(22-10-6-5-7-11-22)28(21(3)33-31)30(37)35-25-12-8-9-13-26(25)38-4/h5-16,29,33H,18H2,1-4H3,(H,34,36)(H,35,37)
InChIKey BSKRFAOAFBOTKT-UHFFFAOYSA-N
Mol Weight 538.67 g/mol
Molecular Formula C31H30N4O3S
Exact Mass 538.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TGSm3bBZZT
Name 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
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/C31H30N4O3S/c1-19-14-15-23(16-20(19)2)34-27(36)18-39-31-24(17-32)29(22-10-6-5-7-11-22)28(21(3)33-31)30(37)35-25-12-8-9-13-26(25)38-4/h5-16,29,33H,18H2,1-4H3,(H,34,36)(H,35,37)
InChIKey BSKRFAOAFBOTKT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3345
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/10211916; Labnumber: KR-KSG1G26
Temperature 303 °C