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3-pyridinecarboxamide, 5-cyano-6-[[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-

View entire compound with spectra: 1 NMR

3-pyridinecarboxamide, 5-cyano-6-[[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-
SpectraBase Compound ID HknUqFG0A9n
InChI InChI=1S/C27H22Cl2N4O2S2/c1-15-6-3-4-7-21(15)33-26(35)24-16(2)31-27(18(13-30)25(24)22-8-5-11-36-22)37-14-23(34)32-17-9-10-19(28)20(29)12-17/h3-12,25,31H,14H2,1-2H3,(H,32,34)(H,33,35)
InChIKey YYAKWLWFCSRHHT-UHFFFAOYSA-N
Mol Weight 569.53 g/mol
Molecular Formula C27H22Cl2N4O2S2
Exact Mass 568.056124 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qqA1ypwGmm
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.056123710 u
Formula C27H22Cl2N4O2S2
InChI InChI=1S/C27H22Cl2N4O2S2/c1-15-6-3-4-7-21(15)33-26(35)24-16(2)31-27(18(13-30)25(24)22-8-5-11-36-22)37-14-23(34)32-17-9-10-19(28)20(29)12-17/h3-12,25,31H,14H2,1-2H3,(H,32,34)(H,33,35)
InChIKey YYAKWLWFCSRHHT-UHFFFAOYSA-N
Molecular Weight 569.525 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6054
Solvent DMSO-d6
Source Vendor ID: NMR/10211923; Lab Info: KR; Lab Number: KR-KSG1G34
Temperature 23.85 °C