butanoic acid, 4-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-3-oxo-, ethyl ester

SpectraBase Compound ID	CpSctQdegxP
InChI	InChI=1S/C22H17FN2O3S2/c1-2-28-21(27)10-16(26)13-30-22-18(12-24)17(14-5-7-15(23)8-6-14)11-19(25-22)20-4-3-9-29-20/h3-9,11H,2,10,13H2,1H3
InChIKey	BXQMOROUHQKCHM-UHFFFAOYSA-N Google Search
Mol Weight	440.51 g/mol
Molecular Formula	C22H17FN2O3S2
Exact Mass	440.066463 g/mol

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SpectraBase Spectrum ID	LeRMbFgPssd
Name	butanoic acid, 4-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-3-oxo-, ethyl 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/C22H17FN2O3S2/c1-2-28-21(27)10-16(26)13-30-22-18(12-24)17(14-5-7-15(23)8-6-14)11-19(25-22)20-4-3-9-29-20/h3-9,11H,2,10,13H2,1H3
InChIKey	BXQMOROUHQKCHM-UHFFFAOYSA-N
NMR Offset	16.0087
NMR Spectrometer Frequency	500.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_536
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: 63TSH0.031; IOH_ID: IOH-007537