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

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-, 1,1-dimethylethyl ester
SpectraBase Compound ID HDPJTm5oULs
InChI InChI=1S/C27H28ClN3O3S/c1-16-6-12-20(13-7-16)31-22(32)15-35-25-21(14-29)24(18-8-10-19(28)11-9-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)
InChIKey KSMDSCDCCUMXDN-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 GmpiL8mqTuH
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-, 1,1-dimethylethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.153990645 u
Formula C27H28ClN3O3S
InChI InChI=1S/C27H28ClN3O3S/c1-16-6-12-20(13-7-16)31-22(32)15-35-25-21(14-29)24(18-8-10-19(28)11-9-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)
InChIKey KSMDSCDCCUMXDN-UHFFFAOYSA-N
Molecular Weight 510.052 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10513
Solvent DMSO-d6
Source Vendor ID: NMR/10251763; Lab Info: KR; Lab Number: KR-KK00019