3-thiomorpholinecarboxylic acid, 6-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-5-oxo-

SpectraBase Compound ID	JfSQ5coV8xM
InChI	InChI=1S/C13H13ClN2O4S/c14-7-1-3-8(4-2-7)15-11(17)5-10-12(18)16-9(6-21-10)13(19)20/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKey	XHIBXYFJOKKPNO-UHFFFAOYSA-N Google Search
Mol Weight	328.77 g/mol
Molecular Formula	C13H13ClN2O4S
Exact Mass	328.028456 g/mol

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SpectraBase Spectrum ID	Hc3Bg1GYK1h
Name	3-thiomorpholinecarboxylic acid, 6-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-5-oxo-
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/C13H13ClN2O4S/c14-7-1-3-8(4-2-7)15-11(17)5-10-12(18)16-9(6-21-10)13(19)20/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKey	XHIBXYFJOKKPNO-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_3465
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/16322838; Labnumber: VGY0112459