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3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID 3NmtAmxRFZM
InChI InChI=1S/C25H24BrN3O5S/c1-3-33-19-8-6-5-7-17(19)21-18(13-27)24(29-23(31)22(21)25(32)34-4-2)35-14-20(30)28-16-11-9-15(26)10-12-16/h5-12,21-22H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKey TVHJFZGDVARJJM-UHFFFAOYSA-N
Mol Weight 558.45 g/mol
Molecular Formula C25H24BrN3O5S
Exact Mass 557.062005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FgxsLDdkjG1
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl 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 557.062005054 u
Formula C25H24BrN3O5S
InChI InChI=1S/C25H24BrN3O5S/c1-3-33-19-8-6-5-7-17(19)21-18(13-27)24(29-23(31)22(21)25(32)34-4-2)35-14-20(30)28-16-11-9-15(26)10-12-16/h5-12,21-22H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKey TVHJFZGDVARJJM-UHFFFAOYSA-N
Molecular Weight 558.447 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6385
Solvent DMSO-d6
Source Vendor ID: NMR/9253194; Lab Info: KR; Lab Number: KR-0000047