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3-pyridinecarboxamide, 6-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl-

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3-pyridinecarboxamide, 6-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl-
SpectraBase Compound ID 2Oq0u42tLWp
InChI InChI=1S/C29H25BrN4O3S/c1-18-26(28(36)34-23-13-6-7-14-24(23)37-2)27(19-9-4-3-5-10-19)22(16-31)29(32-18)38-17-25(35)33-21-12-8-11-20(30)15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey DVUHFKBKFJSAMM-UHFFFAOYSA-N
Mol Weight 589.51 g/mol
Molecular Formula C29H25BrN4O3S
Exact Mass 588.083075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Wv65vH4ye2
Name 3-pyridinecarboxamide, 6-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.083074852 u
Formula C29H25BrN4O3S
InChI InChI=1S/C29H25BrN4O3S/c1-18-26(28(36)34-23-13-6-7-14-24(23)37-2)27(19-9-4-3-5-10-19)22(16-31)29(32-18)38-17-25(35)33-21-12-8-11-20(30)15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey DVUHFKBKFJSAMM-UHFFFAOYSA-N
Molecular Weight 589.508 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7737
Solvent DMSO-d6
Source Vendor ID: NMR/10231948; Lab Info: KR; Lab Number: KR-KC00142
Temperature 23.85 °C