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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(1-naphthalenylmethyl)thio]-, 1,1-dimethylethyl ester
SpectraBase Compound ID DudlbnmVwwr
InChI InChI=1S/C29H27ClN2O2S/c1-18-25(28(33)34-29(2,3)4)26(20-12-14-22(30)15-13-20)24(16-31)27(32-18)35-17-21-10-7-9-19-8-5-6-11-23(19)21/h5-15,26,32H,17H2,1-4H3
InChIKey DAZYEPGVUDQXCA-UHFFFAOYSA-N
Mol Weight 503.06 g/mol
Molecular Formula C29H27ClN2O2S
Exact Mass 502.148177 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9mcbNTwwnI
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(1-naphthalenylmethyl)thio]-, 1,1-dimethylethyl 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 502.148176989 u
Formula C29H27ClN2O2S
InChI InChI=1S/C29H27ClN2O2S/c1-18-25(28(33)34-29(2,3)4)26(20-12-14-22(30)15-13-20)24(16-31)27(32-18)35-17-21-10-7-9-19-8-5-6-11-23(19)21/h5-15,26,32H,17H2,1-4H3
InChIKey DAZYEPGVUDQXCA-UHFFFAOYSA-N
Molecular Weight 503.060 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4021
Solvent DMSO-d6
Source Vendor ID: NMR/9264769; Lab Info: KR; Lab Number: KR-0000006