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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]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-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-, 1,1-dimethylethyl ester
SpectraBase Compound ID EmVukAbzAUE
InChI InChI=1S/C27H28ClN3O3S/c1-16-8-6-7-9-21(16)31-22(32)15-35-25-20(14-29)24(18-10-12-19(28)13-11-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)
InChIKey PXQDZTSZSZXNAU-UHFFFAOYSA-N
Mol Weight 510.05 g/mol
Molecular Formula C27H28ClN3O3S
Exact Mass 509.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8Lq1nc5aeH
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]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 509.153990645 u
Formula C27H28ClN3O3S
InChI InChI=1S/C27H28ClN3O3S/c1-16-8-6-7-9-21(16)31-22(32)15-35-25-20(14-29)24(18-10-12-19(28)13-11-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)
InChIKey PXQDZTSZSZXNAU-UHFFFAOYSA-N
Molecular Weight 510.052 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4036
Solvent DMSO-d6
Source Vendor ID: NMR/9264772; Lab Info: KR; Lab Number: KR-0000009
Temperature 29.85 °C