3-pyridinecarbonitrile, 2-[[(butylsulfinyl)methyl]thio]-4-phenyl-6-(2-thienyl)-

SpectraBase Compound ID	OjclGGLlqg
InChI	InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-11-25-20/h4-11,13H,2-3,12,15H2,1H3
InChIKey	WKMMADHNFLULAF-UHFFFAOYSA-N Google Search
Mol Weight	412.58 g/mol
Molecular Formula	C21H20N2OS3
Exact Mass	412.073777 g/mol

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SpectraBase Spectrum ID	CetmEQP18PZ
Name	3-pyridinecarbonitrile, 2-[[(butylsulfinyl)methyl]thio]-4-phenyl-6-(2-thienyl)-
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/C21H20N2OS3/c1-2-3-12-27(24)15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-11-25-20/h4-11,13H,2-3,12,15H2,1H3
InChIKey	WKMMADHNFLULAF-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_5374
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/11288055