2-{3-[(trifluoromethyl)sulfanyl]anilino}nicotinic acid

SpectraBase Compound ID	EjwdfaDncAv
InChI	InChI=1S/C13H9F3N2O2S/c14-13(15,16)21-9-4-1-3-8(7-9)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey	DVSUJRJYWLHXNW-UHFFFAOYSA-N Google Search
Mol Weight	314.28 g/mol
Molecular Formula	C13H9F3N2O2S
Exact Mass	314.033683 g/mol

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SpectraBase Spectrum ID	GJjzSWT5kFu
Name	2-{3-[(trifluoromethyl)sulfanyl]anilino}nicotinic 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/C13H9F3N2O2S/c14-13(15,16)21-9-4-1-3-8(7-9)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey	DVSUJRJYWLHXNW-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4894
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/10301737; Labnumber: SIP-137; IOH_ID: IOH-004895