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ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID D3V96Ldht2K
InChI InChI=1S/C30H25Cl2N3O4S/c1-3-39-30(37)27-26(20-11-7-8-12-22(20)32)21(16-33)29(35-28(27)18-9-5-4-6-10-18)40-17-25(36)34-23-15-19(31)13-14-24(23)38-2/h4-15,26,35H,3,17H2,1-2H3,(H,34,36)
InChIKey DIINUTVSFXAWPW-UHFFFAOYSA-N
Mol Weight 594.51 g/mol
Molecular Formula C30H25Cl2N3O4S
Exact Mass 593.094283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Z6qVaEyAj9
Name ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-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 593.094282867 u
Formula C30H25Cl2N3O4S
InChI InChI=1S/C30H25Cl2N3O4S/c1-3-39-30(37)27-26(20-11-7-8-12-22(20)32)21(16-33)29(35-28(27)18-9-5-4-6-10-18)40-17-25(36)34-23-15-19(31)13-14-24(23)38-2/h4-15,26,35H,3,17H2,1-2H3,(H,34,36)
InChIKey DIINUTVSFXAWPW-UHFFFAOYSA-N
Molecular Weight 594.513 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1682
Solvent DMSO-d6
Source Vendor ID: NMR/12278261