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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-(2-naphthalenylamino)-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-naphthalenylamino)-2-oxoethyl]thio]-, 1,1-dimethylethyl ester
SpectraBase Compound ID L1N8Hivg8sI
InChI InChI=1S/C30H28ClN3O3S/c1-18-26(29(36)37-30(2,3)4)27(20-9-12-22(31)13-10-20)24(16-32)28(33-18)38-17-25(35)34-23-14-11-19-7-5-6-8-21(19)15-23/h5-15,27,33H,17H2,1-4H3,(H,34,35)
InChIKey WLHONIREPFARLX-UHFFFAOYSA-N
Mol Weight 546.09 g/mol
Molecular Formula C30H28ClN3O3S
Exact Mass 545.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39yjgiSM6Wk
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-(2-naphthalenylamino)-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 545.153990645 u
Formula C30H28ClN3O3S
InChI InChI=1S/C30H28ClN3O3S/c1-18-26(29(36)37-30(2,3)4)27(20-9-12-22(31)13-10-20)24(16-32)28(33-18)38-17-25(35)34-23-14-11-19-7-5-6-8-21(19)15-23/h5-15,27,33H,17H2,1-4H3,(H,34,35)
InChIKey WLHONIREPFARLX-UHFFFAOYSA-N
Molecular Weight 546.085 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10514
Solvent DMSO-d6
Source Vendor ID: NMR/10251767; Lab Info: KR; Lab Number: KR-KK00027