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3-pyridinecarboxylic acid, 5-cyano-4-(3,4-dimethoxyphenyl)-1,4-dihydro-2-methyl-6-[(3-pyridinylmethyl)thio]-, methyl ester

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3-pyridinecarboxylic acid, 5-cyano-4-(3,4-dimethoxyphenyl)-1,4-dihydro-2-methyl-6-[(3-pyridinylmethyl)thio]-, methyl ester
SpectraBase Compound ID LiN5GQoaFdb
InChI InChI=1S/C23H23N3O4S/c1-14-20(23(27)30-4)21(16-7-8-18(28-2)19(10-16)29-3)17(11-24)22(26-14)31-13-15-6-5-9-25-12-15/h5-10,12,21,26H,13H2,1-4H3
InChIKey HTSOHOWYTNAQPP-UHFFFAOYSA-N
Mol Weight 437.51 g/mol
Molecular Formula C23H23N3O4S
Exact Mass 437.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LLmc2zEkfy3
Name 3-pyridinecarboxylic acid, 5-cyano-4-(3,4-dimethoxyphenyl)-1,4-dihydro-2-methyl-6-[(3-pyridinylmethyl)thio]-, methyl 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/C23H23N3O4S/c1-14-20(23(27)30-4)21(16-7-8-18(28-2)19(10-16)29-3)17(11-24)22(26-14)31-13-15-6-5-9-25-12-15/h5-10,12,21,26H,13H2,1-4H3
InChIKey HTSOHOWYTNAQPP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1504
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: F10836; Labnumber: SHES8-1287