3-pyridinecarboxylic acid, 5-cyano-1,2-dihydro-6-[(3-methylbutyl)thio]-2-oxo-

SpectraBase Compound ID	IKOkXu4plzm
InChI	InChI=1S/C12H14N2O3S/c1-7(2)3-4-18-11-8(6-13)5-9(12(16)17)10(15)14-11/h5,7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey	SNAGTPGGACHWCZ-UHFFFAOYSA-N Google Search
Mol Weight	266.31 g/mol
Molecular Formula	C12H14N2O3S
Exact Mass	266.072513 g/mol

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SpectraBase Spectrum ID	FKeQtl5DhPh
Name	3-pyridinecarboxylic acid, 5-cyano-1,2-dihydro-6-[(3-methylbutyl)thio]-2-oxo-
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/C12H14N2O3S/c1-7(2)3-4-18-11-8(6-13)5-9(12(16)17)10(15)14-11/h5,7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey	SNAGTPGGACHWCZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2442
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/11238795