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2-[[5-cyano-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(3,5-dichlorophenyl)acetamide
SpectraBase Compound ID 3DA7uGyZg4l
InChI InChI=1S/C21H17Cl2N3O3S/c1-29-16-4-2-12(3-5-16)17-9-19(27)26-21(18(17)10-24)30-11-20(28)25-15-7-13(22)6-14(23)8-15/h2-8,17H,9,11H2,1H3,(H,25,28)(H,26,27)
InChIKey SCPIFIRDAUNNGN-UHFFFAOYSA-N
Mol Weight 462.35 g/mol
Molecular Formula C21H17Cl2N3O3S
Exact Mass 461.036768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FYbixaKI092
Name acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-N-(3,5-dichlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.036767990 u
Formula C21H17Cl2N3O3S
InChI InChI=1S/C21H17Cl2N3O3S/c1-29-16-4-2-12(3-5-16)17-9-19(27)26-21(18(17)10-24)30-11-20(28)25-15-7-13(22)6-14(23)8-15/h2-8,17H,9,11H2,1H3,(H,25,28)(H,26,27)
InChIKey SCPIFIRDAUNNGN-UHFFFAOYSA-N
Molecular Weight 462.351 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10511
Solvent DMSO-d6
Source Vendor ID: NMR/10251760; Lab Info: KR; Lab Number: KR-KK00016