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methyl 6-{[2-(3-chloro-4-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-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
SpectraBase Compound ID 9w79AQJB0zM
InChI InChI=1S/C24H22ClN3O5S/c1-13-4-7-15(10-18(13)25)27-19(29)12-34-23-17(11-26)20(14-5-8-16(32-2)9-6-14)21(22(30)28-23)24(31)33-3/h4-10,20-21H,12H2,1-3H3,(H,27,29)(H,28,30)
InChIKey QAFFXDJWMFDLRK-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 BTod7zy8F1A
Name methyl 6-{[2-(3-chloro-4-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/c1-13-4-7-15(10-18(13)25)27-19(29)12-34-23-17(11-26)20(14-5-8-16(32-2)9-6-14)21(22(30)28-23)24(31)33-3/h4-10,20-21H,12H2,1-3H3,(H,27,29)(H,28,30)
InChIKey QAFFXDJWMFDLRK-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_1737
Solvent DMSO-d6
Source Vendor ID: NMR/12278326