sodium S-(2-{[2-(1H-indol-3-yl)-1-methylethyl]amino}-2-oxoethyl) thiosulfate

SpectraBase Compound ID	FBHDvg9OwxZ
InChI	InChI=1S/C13H16N2O4S2.Na/c1-9(15-13(16)8-20-21(17,18)19)6-10-7-14-12-5-3-2-4-11(10)12;/h2-5,7,9,14H,6,8H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1
InChIKey	JCDQPQAVEITAPR-UHFFFAOYSA-M Google Search
Mol Weight	350.38 g/mol
Molecular Formula	C13H15N2NaO4S2
Exact Mass	350.037094 g/mol

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SpectraBase Spectrum ID	7V3NvxGQ9uS
Name	sodium S-(2-{[2-(1H-indol-3-yl)-1-methylethyl]amino}-2-oxoethyl) thiosulfate
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/C13H16N2O4S2.Na/c1-9(15-13(16)8-20-21(17,18)19)6-10-7-14-12-5-3-2-4-11(10)12;/h2-5,7,9,14H,6,8H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1
InChIKey	JCDQPQAVEITAPR-UHFFFAOYSA-M
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28918
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: D90458; Labnumber: PRZHI-0075; SBI_ID: SBI-028922
Temperature	303 °C