1H-isoindole-2-acetic acid, 5-carboxy-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1,3-dioxo-

SpectraBase Compound ID	E73pp4IpsOL
InChI	InChI=1S/C14H13NO6S/c1-22-5-4-10(14(20)21)15-11(16)8-3-2-7(13(18)19)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKey	CRBKJEFFAOMOCL-UHFFFAOYSA-N Google Search
Mol Weight	323.32 g/mol
Molecular Formula	C14H13NO6S
Exact Mass	323.046358 g/mol

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SpectraBase Spectrum ID	9QqqiRmj3cC
Name	1H-isoindole-2-acetic acid, 5-carboxy-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/C14H13NO6S/c1-22-5-4-10(14(20)21)15-11(16)8-3-2-7(13(18)19)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKey	CRBKJEFFAOMOCL-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3575
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: NMR/10228327