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

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-, 1,1-
SpectraBase Compound ID JT6n9AuZ4Wn
InChI InChI=1S/C26H25Cl2N3O3S/c1-15-22(25(33)34-26(2,3)4)23(16-8-10-17(27)11-9-16)20(13-29)24(30-15)35-14-21(32)31-19-7-5-6-18(28)12-19/h5-12,23,30H,14H2,1-4H3,(H,31,32)
InChIKey UWJSONWAPOFTOD-UHFFFAOYSA-N
Mol Weight 530.47 g/mol
Molecular Formula C26H25Cl2N3O3S
Exact Mass 529.099368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kvj3Lq9E0T8
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-, 1,1-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.099368248 u
Formula C26H25Cl2N3O3S
InChI InChI=1S/C26H25Cl2N3O3S/c1-15-22(25(33)34-26(2,3)4)23(16-8-10-17(27)11-9-16)20(13-29)24(30-15)35-14-21(32)31-19-7-5-6-18(28)12-19/h5-12,23,30H,14H2,1-4H3,(H,31,32)
InChIKey UWJSONWAPOFTOD-UHFFFAOYSA-N
Molecular Weight 530.470 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4038
Solvent DMSO-d6
Source Vendor ID: NMR/9264786; Lab Info: KR; Lab Number: KR-0000023
Temperature 29.85 °C