2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(3-methoxyphenyl)acetamide

SpectraBase Compound ID	LiR9PlpFVaA
InChI	InChI=1S/C21H18FN3O3S/c1-28-16-4-2-3-15(9-16)24-20(27)12-29-21-18(11-23)17(10-19(26)25-21)13-5-7-14(22)8-6-13/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey	ZSFQEMYAPJLOKR-UHFFFAOYSA-N Google Search
Mol Weight	411.45 g/mol
Molecular Formula	C21H18FN3O3S
Exact Mass	411.105291 g/mol

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SpectraBase Spectrum ID	LP1WExTU1k0
Name	2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	411.105290786 u
Formula	C21H18FN3O3S
InChI	InChI=1S/C21H18FN3O3S/c1-28-16-4-2-3-15(9-16)24-20(27)12-29-21-18(11-23)17(10-19(26)25-21)13-5-7-14(22)8-6-13/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey	ZSFQEMYAPJLOKR-UHFFFAOYSA-N
Molecular Weight	411.451 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2020_1729
Solvent	DMSO-d6
Source	Vendor ID: NMR/12278318