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2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID DJO09YXKuVY
InChI InChI=1S/C22H20FN3O4S/c1-2-30-19-9-13(3-8-18(19)27)16-10-20(28)26-22(17(16)11-24)31-12-21(29)25-15-6-4-14(23)5-7-15/h3-9,16,27H,2,10,12H2,1H3,(H,25,29)(H,26,28)
InChIKey NXDFAWLXYXNSJX-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C22H20FN3O4S
Exact Mass 441.115855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EaxoD4ypKCw
Name 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.115855469 u
Formula C22H20FN3O4S
InChI InChI=1S/C22H20FN3O4S/c1-2-30-19-9-13(3-8-18(19)27)16-10-20(28)26-22(17(16)11-24)31-12-21(29)25-15-6-4-14(23)5-7-15/h3-9,16,27H,2,10,12H2,1H3,(H,25,29)(H,26,28)
InChIKey NXDFAWLXYXNSJX-UHFFFAOYSA-N
Molecular Weight 441.477 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1738
Solvent DMSO-d6
Source Vendor ID: NMR/12278329