1,3-Benzenedicarboxylic acid, 5-[[(2-benzothiazolylthio)acetyl]amino]-, diethyl ester

SpectraBase Compound ID	4OSZh3KXcDF
InChI	InChI=1S/C21H20N2O5S2/c1-3-27-19(25)13-9-14(20(26)28-4-2)11-15(10-13)22-18(24)12-29-21-23-16-7-5-6-8-17(16)30-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKey	PCZLXFQYPGBBDI-UHFFFAOYSA-N Google Search
Mol Weight	444.52 g/mol
Molecular Formula	C21H20N2O5S2
Exact Mass	444.081364 g/mol

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SpectraBase Spectrum ID	5gQNvWCblCW
Name	1,3-benzenedicarboxylic acid, 5-[[(2-benzothiazolylthio)acetyl]amino]-, diethyl ester
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/C21H20N2O5S2/c1-3-27-19(25)13-9-14(20(26)28-4-2)11-15(10-13)22-18(24)12-29-21-23-16-7-5-6-8-17(16)30-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKey	PCZLXFQYPGBBDI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_937
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/11228644