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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-6-[(1-naphthalenylmethyl)thio]-2-oxo-, methyl ester
SpectraBase Compound ID CfeTpx5SYy4
InChI InChI=1S/C26H22N2O3S/c1-16-8-3-5-12-19(16)22-21(14-27)25(28-24(29)23(22)26(30)31-2)32-15-18-11-7-10-17-9-4-6-13-20(17)18/h3-13,22-23H,15H2,1-2H3,(H,28,29)
InChIKey MFWSLHYPMJUUSZ-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C26H22N2O3S
Exact Mass 442.135114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BiMbWhYV2lx
Name 3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-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 442.135113747 u
Formula C26H22N2O3S
InChI InChI=1S/C26H22N2O3S/c1-16-8-3-5-12-19(16)22-21(14-27)25(28-24(29)23(22)26(30)31-2)32-15-18-11-7-10-17-9-4-6-13-20(17)18/h3-13,22-23H,15H2,1-2H3,(H,28,29)
InChIKey MFWSLHYPMJUUSZ-UHFFFAOYSA-N
Molecular Weight 442.533 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8987
Solvent DMSO-d6
Source Vendor ID: NMR/9253174; Lab Info: KR; Lab Number: KR-0000026