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

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,3-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl
SpectraBase Compound ID 5XznHxIxwJd
InChI InChI=1S/C28H30ClN3O3S/c1-16-8-7-9-22(17(16)2)32-23(33)15-36-26-21(14-30)25(19-10-12-20(29)13-11-19)24(18(3)31-26)27(34)35-28(4,5)6/h7-13,25,31H,15H2,1-6H3,(H,32,33)
InChIKey ZJGCQQZYMRKMJM-UHFFFAOYSA-N
Mol Weight 524.08 g/mol
Molecular Formula C28H30ClN3O3S
Exact Mass 523.169641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SHaPyl0CGA
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,3-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.169640709 u
Formula C28H30ClN3O3S
InChI InChI=1S/C28H30ClN3O3S/c1-16-8-7-9-22(17(16)2)32-23(33)15-36-26-21(14-30)25(19-10-12-20(29)13-11-19)24(18(3)31-26)27(34)35-28(4,5)6/h7-13,25,31H,15H2,1-6H3,(H,32,33)
InChIKey ZJGCQQZYMRKMJM-UHFFFAOYSA-N
Molecular Weight 524.079 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4037
Solvent DMSO-d6
Source Vendor ID: NMR/9264775; Lab Info: KR; Lab Number: KR-0000012
Temperature 29.85 °C