benzoic acid, 4-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]-, methyl ester

SpectraBase Compound ID	13o3ynXml9M
InChI	InChI=1S/C18H19NO5S/c1-13-3-9-16(10-4-13)25(22,23)12-11-17(20)19-15-7-5-14(6-8-15)18(21)24-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKey	LALQGNPPSNYUNK-UHFFFAOYSA-N Google Search
Mol Weight	361.41 g/mol
Molecular Formula	C18H19NO5S
Exact Mass	361.098394 g/mol

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SpectraBase Spectrum ID	F542ECloi8A
Name	benzoic acid, 4-[[3-[(4-methylphenyl)sulfonyl]-1-oxopropyl]amino]-, methyl ester
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/C18H19NO5S/c1-13-3-9-16(10-4-13)25(22,23)12-11-17(20)19-15-7-5-14(6-8-15)18(21)24-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKey	LALQGNPPSNYUNK-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_8171
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/12258316