D,L-1,3-dioxo-α-[2-(methylthio)ethyl]-2-isoindolineacetic acid

SpectraBase Compound ID	1QfJnhLMWSK
InChI	InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey	VMTKJVHNTIEOCU-UHFFFAOYSA-N Google Search
Mol Weight	279.31 g/mol
Molecular Formula	C13H13NO4S
Exact Mass	279.056529 g/mol

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SpectraBase Spectrum ID	IOwUf2rXChf
Name	1H-isoindole-2-acetic acid, 2,3-dihydro-alpha-[2-(methylthio)ethyl]-1,3-dioxo-
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/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey	VMTKJVHNTIEOCU-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_7673
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: ZERO/001736; IOH_ID: IOH-014678