2-({2-oxo-2-[(2-phenoxyethyl)amino]ethyl}sulfanyl)benzoic acid

SpectraBase Compound ID	7ILWTi86rCf
InChI	InChI=1S/C17H17NO4S/c19-16(18-10-11-22-13-6-2-1-3-7-13)12-23-15-9-5-4-8-14(15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21)
InChIKey	WHQCLWBKMVHUML-UHFFFAOYSA-N Google Search
Mol Weight	331.39 g/mol
Molecular Formula	C17H17NO4S
Exact Mass	331.087829 g/mol

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SpectraBase Spectrum ID	J3e6lI8hZ7a
Name	2-({2-oxo-2-[(2-phenoxyethyl)amino]ethyl}sulfanyl)benzoic acid
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/C17H17NO4S/c19-16(18-10-11-22-13-6-2-1-3-7-13)12-23-15-9-5-4-8-14(15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21)
InChIKey	WHQCLWBKMVHUML-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5167
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/11211592; Labnumber: LP-2110060; IOH_ID: IOH-005168