2-[(2-AMINO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)OXY]-3,5-DICHLOROBENZENESULFONIC ACID, SODIUM SALT

SpectraBase Compound ID	2NxYIQ8W1fg
InChI	InChI=1S/C13H8Cl2F3NO4S.Na/c14-7-4-8(15)12(11(5-7)24(20,21)22)23-10-2-1-6(3-9(10)19)13(16,17)18;/h1-5H,19H2,(H,20,21,22);/q;+1/p-1
InChIKey	CILFQBWCWWZSTI-UHFFFAOYSA-M Google Search
Mol Weight	424.15 g/mol
Molecular Formula	C13H7Cl2F3NNaO4S
Exact Mass	422.932263 g/mol

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SpectraBase Spectrum ID	1iOGCGFudOK
Name	sodium 2-[2-amino-4-(trifluoromethyl)phenoxy]-3,5-dichlorobenzenesulfonate
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/C13H8Cl2F3NO4S.Na/c14-7-4-8(15)12(11(5-7)24(20,21)22)23-10-2-1-6(3-9(10)19)13(16,17)18;/h1-5H,19H2,(H,20,21,22);/q;+1/p-1
InChIKey	CILFQBWCWWZSTI-UHFFFAOYSA-M
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16939
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: 987/00004686; Labnumber: 987/00004686218857; VK_ID: VK-016944
Temperature	305 °C