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2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
SpectraBase Compound ID 98NlMeErfLm
InChI InChI=1S/C17H17NO4S/c1-2-22-14-9-5-4-8-13(14)18-16(19)11-23-15-10-6-3-7-12(15)17(20)21/h3-10H,2,11H2,1H3,(H,18,19)(H,20,21)
InChIKey XHTPESJVWSWHTJ-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C17H17NO4S
Exact Mass 331.087829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DwULEX4wypW
Name 2-{[2-(2-ethoxyanilino)-2-oxoethyl]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/c1-2-22-14-9-5-4-8-13(14)18-16(19)11-23-15-10-6-3-7-12(15)17(20)21/h3-10H,2,11H2,1H3,(H,18,19)(H,20,21)
InChIKey XHTPESJVWSWHTJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6471
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/11252662; Labnumber: 1386; IOH_ID: IOH-006472