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ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID IvCiBkfujcb
InChI InChI=1S/C29H24ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3-16,25,33H,2,18H2,1H3,(H,32,34)
InChIKey NRQAAYAVYJNHEA-UHFFFAOYSA-N
Mol Weight 530.04 g/mol
Molecular Formula C29H24ClN3O3S
Exact Mass 529.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AkS05hHIRpK
Name ethyl 6-[(2-anilino-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 529.122690516 u
Formula C29H24ClN3O3S
InChI InChI=1S/C29H24ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3-16,25,33H,2,18H2,1H3,(H,32,34)
InChIKey NRQAAYAVYJNHEA-UHFFFAOYSA-N
Molecular Weight 530.042 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1690
Solvent DMSO-d6
Source Vendor ID: NMR/12278270