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ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 4rQdNS5mTUE
InChI InChI=1S/C29H23ClN2O3S/c1-2-35-29(34)26-25(21-15-9-10-16-23(21)30)22(17-31)28(32-27(26)20-13-7-4-8-14-20)36-18-24(33)19-11-5-3-6-12-19/h3-16,25,32H,2,18H2,1H3
InChIKey SHLCWXUYDBZQIX-UHFFFAOYSA-N
Mol Weight 515.03 g/mol
Molecular Formula C29H23ClN2O3S
Exact Mass 514.111791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID nsIEhNN8xo
Name ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)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 514.111791480 u
Formula C29H23ClN2O3S
InChI InChI=1S/C29H23ClN2O3S/c1-2-35-29(34)26-25(21-15-9-10-16-23(21)30)22(17-31)28(32-27(26)20-13-7-4-8-14-20)36-18-24(33)19-11-5-3-6-12-19/h3-16,25,32H,2,18H2,1H3
InChIKey SHLCWXUYDBZQIX-UHFFFAOYSA-N
Molecular Weight 515.027 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1655
Solvent DMSO-d6
Source Vendor ID: NMR/12278226