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ethyl 5-(anilinocarbonyl)-2-[(1-cyanoethyl)sulfanyl]-6-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID BA7A0GC3eW7
InChI InChI=1S/C25H25N3O3S/c1-4-31-25(30)22-21(18-11-7-5-8-12-18)20(17(3)27-24(22)32-16(2)15-26)23(29)28-19-13-9-6-10-14-19/h5-14,16,21,27H,4H2,1-3H3,(H,28,29)
InChIKey ZIEGQEVRVRUTBH-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53fTSeEfG8q
Name ethyl 5-(anilinocarbonyl)-2-[(1-cyanoethyl)sulfanyl]-6-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxylate
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/C25H25N3O3S/c1-4-31-25(30)22-21(18-11-7-5-8-12-18)20(17(3)27-24(22)32-16(2)15-26)23(29)28-19-13-9-6-10-14-19/h5-14,16,21,27H,4H2,1-3H3,(H,28,29)
InChIKey ZIEGQEVRVRUTBH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10679
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: UZI/8054581; Labnumber: LI-0000422; UZI_ID: UZI-010681
Temperature 313 °C