sodium S-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl} thiosulfate

SpectraBase Compound ID	5fU7cqqc2ID
InChI	InChI=1S/C9H8F3NO4S2.Na/c10-9(11,12)6-2-1-3-7(4-6)13-8(14)5-18-19(15,16)17;/h1-4H,5H2,(H,13,14)(H,15,16,17);/q;+1/p-1
InChIKey	WHLUGWVIQHBZKG-UHFFFAOYSA-M Google Search
Mol Weight	337.26 g/mol
Molecular Formula	C9H7F3NNaO4S2
Exact Mass	336.966629 g/mol

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SpectraBase Spectrum ID	9DgljOzc6R4
Name	sodium S-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl} thiosulfate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C9H8F3NO4S2.Na/c10-9(11,12)6-2-1-3-7(4-6)13-8(14)5-18-19(15,16)17;/h1-4H,5H2,(H,13,14)(H,15,16,17);/q;+1/p-1
InChIKey	WHLUGWVIQHBZKG-UHFFFAOYSA-M
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_8576
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: UZI/9684678; Labnumber: DGP-nal2/0335; UZI_ID: UZI-008578
Temperature	308 °C