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methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

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methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
SpectraBase Compound ID 7Ucx4zxxyEg
InChI InChI=1S/C24H22ClN3O5S/c1-13-17(25)5-4-6-18(13)27-19(29)12-34-23-16(11-26)20(14-7-9-15(32-2)10-8-14)21(22(30)28-23)24(31)33-3/h4-10,20-21H,12H2,1-3H3,(H,27,29)(H,28,30)
InChIKey JMWRDGCYCIKBTN-UHFFFAOYSA-N
Mol Weight 499.97 g/mol
Molecular Formula C24H22ClN3O5S
Exact Mass 499.09687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KdpBroVuqkZ
Name methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.096869689 u
Formula C24H22ClN3O5S
InChI InChI=1S/C24H22ClN3O5S/c1-13-17(25)5-4-6-18(13)27-19(29)12-34-23-16(11-26)20(14-7-9-15(32-2)10-8-14)21(22(30)28-23)24(31)33-3/h4-10,20-21H,12H2,1-3H3,(H,27,29)(H,28,30)
InChIKey JMWRDGCYCIKBTN-UHFFFAOYSA-N
Molecular Weight 499.969 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1736
Solvent DMSO-d6
Source Vendor ID: NMR/12278325