acetic acid, [(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-, methyl ester

SpectraBase Compound ID	5r8kpGDeYet
InChI	InChI=1S/C16H12N4O2S/c1-22-13(21)9-23-16-12(8-18)14(10-5-3-2-4-6-10)11(7-17)15(19)20-16/h2-6H,9H2,1H3,(H2,19,20)
InChIKey	QWOXXWKRNQDINE-UHFFFAOYSA-N Google Search
Mol Weight	324.36 g/mol
Molecular Formula	C16H12N4O2S
Exact Mass	324.068097 g/mol

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SpectraBase Spectrum ID	EOO1SNHw0ry
Name	acetic acid, [(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-, methyl 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/C16H12N4O2S/c1-22-13(21)9-23-16-12(8-18)14(10-5-3-2-4-6-10)11(7-17)15(19)20-16/h2-6H,9H2,1H3,(H2,19,20)
InChIKey	QWOXXWKRNQDINE-UHFFFAOYSA-N
NMR Offset	15.4502
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_8516_3155
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: ZID/5042746; Labnumber: TSH-786; IOH_ID: IOH-010158
Temperature	323 °C