5-{[(benzylsulfanyl)acetyl]amino}isophthalic acid

SpectraBase Compound ID	errAzAyGEN
InChI	InChI=1S/C17H15NO5S/c19-15(10-24-9-11-4-2-1-3-5-11)18-14-7-12(16(20)21)6-13(8-14)17(22)23/h1-8H,9-10H2,(H,18,19)(H,20,21)(H,22,23)
InChIKey	RQTWTTXOYJWODB-UHFFFAOYSA-N Google Search
Mol Weight	345.37 g/mol
Molecular Formula	C17H15NO5S
Exact Mass	345.067094 g/mol

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SpectraBase Spectrum ID	IYTpFeiiRXw
Name	5-{[(benzylsulfanyl)acetyl]amino}isophthalic acid
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/C17H15NO5S/c19-15(10-24-9-11-4-2-1-3-5-11)18-14-7-12(16(20)21)6-13(8-14)17(22)23/h1-8H,9-10H2,(H,18,19)(H,20,21)(H,22,23)
InChIKey	RQTWTTXOYJWODB-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_4765
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: ZI/8129533; Labnumber: LN-0006555; IOH_ID: IOH-004766
Temperature	303 °C