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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-propyl-, ethyl ester
SpectraBase Compound ID 2YP0bPW6L4y
InChI InChI=1S/C27H28ClN3O3S/c1-4-10-22-25(27(33)34-5-2)24(18-12-7-8-13-20(18)28)19(15-29)26(31-22)35-16-23(32)30-21-14-9-6-11-17(21)3/h6-9,11-14,24,31H,4-5,10,16H2,1-3H3,(H,30,32)
InChIKey ISEMLSMTBOUGAK-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 4CFao69ao9P
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-propyl-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28ClN3O3S/c1-4-10-22-25(27(33)34-5-2)24(18-12-7-8-13-20(18)28)19(15-29)26(31-22)35-16-23(32)30-21-14-9-6-11-17(21)3/h6-9,11-14,24,31H,4-5,10,16H2,1-3H3,(H,30,32)
InChIKey ISEMLSMTBOUGAK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2410
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11238756