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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID EcPEs0VyrQ6
InChI InChI=1S/C21H23ClN2O4S/c1-12-17(20(26)28-21(2,3)4)18(13-6-8-14(22)9-7-13)15(10-23)19(24-12)29-11-16(25)27-5/h6-9,18,24H,11H2,1-5H3
InChIKey ZPAZOHVYTVCLAG-UHFFFAOYSA-N
Mol Weight 434.94 g/mol
Molecular Formula C21H23ClN2O4S
Exact Mass 434.106706 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1MZ8xy204wB
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-, 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 434.106706099 u
Formula C21H23ClN2O4S
InChI InChI=1S/C21H23ClN2O4S/c1-12-17(20(26)28-21(2,3)4)18(13-6-8-14(22)9-7-13)15(10-23)19(24-12)29-11-16(25)27-5/h6-9,18,24H,11H2,1-5H3
InChIKey ZPAZOHVYTVCLAG-UHFFFAOYSA-N
Molecular Weight 434.938 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6381
Solvent DMSO-d6
Source Vendor ID: NMR/9253173; Lab Info: KR; Lab Number: KR-0000025