acetic acid, [[3-cyano-4-(4-fluorophenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester

SpectraBase Compound ID	72ePNrpH1MS
InChI	InChI=1S/C21H17FN2O3S/c22-16-8-6-15(7-9-16)17-10-19(25)24-21(18(17)11-23)28-13-20(26)27-12-14-4-2-1-3-5-14/h1-9,17H,10,12-13H2,(H,24,25)
InChIKey	GTHKWNGXZFGQSP-UHFFFAOYSA-N Google Search
Mol Weight	396.44 g/mol
Molecular Formula	C21H17FN2O3S
Exact Mass	396.094392 g/mol

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SpectraBase Spectrum ID	6Byb9Pbp9Ek
Name	acetic acid, [[3-cyano-4-(4-fluorophenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H17FN2O3S/c22-16-8-6-15(7-9-16)17-10-19(25)24-21(18(17)11-23)28-13-20(26)27-12-14-4-2-1-3-5-14/h1-9,17H,10,12-13H2,(H,24,25)
InChIKey	GTHKWNGXZFGQSP-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_2338
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/9253212; Labnumber: KR-0000066
Temperature	297 °C