sodium S-[4-oxo-4-(4-toluidino)butyl] thiosulfate

SpectraBase Compound ID	4wz9EB6BbfT
InChI	InChI=1S/C11H15NO4S2.Na/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-17-18(14,15)16;/h4-7H,2-3,8H2,1H3,(H,12,13)(H,14,15,16);/q;+1/p-1
InChIKey	XRJKTAPNNZIBGH-UHFFFAOYSA-M Google Search
Mol Weight	311.35 g/mol
Molecular Formula	C11H14NNaO4S2
Exact Mass	311.026195 g/mol

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SpectraBase Spectrum ID	EM4aSuXSCNU
Name	sodium S-[4-oxo-4-(4-toluidino)butyl] 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/C11H15NO4S2.Na/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-17-18(14,15)16;/h4-7H,2-3,8H2,1H3,(H,12,13)(H,14,15,16);/q;+1/p-1
InChIKey	XRJKTAPNNZIBGH-UHFFFAOYSA-M
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_1450
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: S13914RM03P021-522; Labnumber: S13914RM03P021-522; VK_ID: VK-001451
Temperature	315 °C