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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID Kjrj6T5oPWc
InChI InChI=1S/C20H22ClN3O3S/c1-11-16(19(26)27-20(2,3)4)17(12-5-7-13(21)8-6-12)14(9-22)18(24-11)28-10-15(23)25/h5-8,17,24H,10H2,1-4H3,(H2,23,25)
InChIKey QQVFOHLJCYEOCP-UHFFFAOYSA-N
Mol Weight 419.93 g/mol
Molecular Formula C20H22ClN3O3S
Exact Mass 419.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DPhR0uUGrDt
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-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 419.107040451 u
Formula C20H22ClN3O3S
InChI InChI=1S/C20H22ClN3O3S/c1-11-16(19(26)27-20(2,3)4)17(12-5-7-13(21)8-6-12)14(9-22)18(24-11)28-10-15(23)25/h5-8,17,24H,10H2,1-4H3,(H2,23,25)
InChIKey QQVFOHLJCYEOCP-UHFFFAOYSA-N
Molecular Weight 419.927 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6382
Solvent DMSO-d6
Source Vendor ID: NMR/9253175; Lab Info: KR; Lab Number: KR-0000027