[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid

SpectraBase Compound ID	1IfrJnCOEQ7
InChI	InChI=1S/C11H12N2O2S/c1-6-7(2)9(4-12)11(13-8(6)3)16-5-10(14)15/h5H2,1-3H3,(H,14,15)
InChIKey	QPCNBFPZOZJIHO-UHFFFAOYSA-N Google Search
Mol Weight	236.29 g/mol
Molecular Formula	C11H12N2O2S
Exact Mass	236.061949 g/mol

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SpectraBase Spectrum ID	3XDLBQmUB3G
Name	[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
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/C11H12N2O2S/c1-6-7(2)9(4-12)11(13-8(6)3)16-5-10(14)15/h5H2,1-3H3,(H,14,15)
InChIKey	QPCNBFPZOZJIHO-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_1013
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: ZI/7132535; Labnumber: X; IOH_ID: IOH-001014
Temperature	297 °C