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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[(1-naphthalenylmethyl)thio]-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[(1-naphthalenylmethyl)thio]-2-oxo-, methyl ester
SpectraBase Compound ID 2VzB4ftVfn0
InChI InChI=1S/C25H19ClN2O3S/c1-31-25(30)22-21(18-11-4-5-12-20(18)26)19(13-27)24(28-23(22)29)32-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,21-22H,14H2,1H3,(H,28,29)
InChIKey YNXNPKLFUGMYLD-UHFFFAOYSA-N
Mol Weight 462.95 g/mol
Molecular Formula C25H19ClN2O3S
Exact Mass 462.080491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyV2i1d7E9p
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[(1-naphthalenylmethyl)thio]-2-oxo-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.080491351 u
Formula C25H19ClN2O3S
InChI InChI=1S/C25H19ClN2O3S/c1-31-25(30)22-21(18-11-4-5-12-20(18)26)19(13-27)24(28-23(22)29)32-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,21-22H,14H2,1H3,(H,28,29)
InChIKey YNXNPKLFUGMYLD-UHFFFAOYSA-N
Molecular Weight 462.951 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6386
Solvent DMSO-d6
Source Vendor ID: NMR/9253198; Lab Info: KR; Lab Number: KR-0000051