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ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 5FpmCb0rLzl
InChI InChI=1S/C31H28ClN3O4S/c1-3-38-25-17-11-10-16-24(25)34-26(36)19-40-30-22(18-33)27(21-14-8-9-15-23(21)32)28(31(37)39-4-2)29(35-30)20-12-6-5-7-13-20/h5-17,27,35H,3-4,19H2,1-2H3,(H,34,36)
InChIKey NECSCLKGWFYKNP-UHFFFAOYSA-N
Mol Weight 574.1 g/mol
Molecular Formula C31H28ClN3O4S
Exact Mass 573.148905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FyF0FCMs2pS
Name ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.148905264 u
Formula C31H28ClN3O4S
InChI InChI=1S/C31H28ClN3O4S/c1-3-38-25-17-11-10-16-24(25)34-26(36)19-40-30-22(18-33)27(21-14-8-9-15-23(21)32)28(31(37)39-4-2)29(35-30)20-12-6-5-7-13-20/h5-17,27,35H,3-4,19H2,1-2H3,(H,34,36)
InChIKey NECSCLKGWFYKNP-UHFFFAOYSA-N
Molecular Weight 574.095 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1718
Solvent DMSO-d6
Source Vendor ID: NMR/12278299