6-benzothiazolecarboxylic acid, 2-[[[[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]thio]acetyl]amino]-, methyl ester

SpectraBase Compound ID	FUCZ3KL2E9f
InChI	InChI=1S/C21H18N2O6S2/c1-28-20(27)14-7-8-15-17(9-14)31-21(22-15)23-18(25)11-30-12-19(26)29-10-16(24)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,22,23,25)
InChIKey	ZZOOPUKAVKKTKA-UHFFFAOYSA-N Google Search
Mol Weight	458.5 g/mol
Molecular Formula	C21H18N2O6S2
Exact Mass	458.060629 g/mol

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SpectraBase Spectrum ID	HsP2jTEKleq
Name	6-benzothiazolecarboxylic acid, 2-[[[[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]thio]acetyl]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/C21H18N2O6S2/c1-28-20(27)14-7-8-15-17(9-14)31-21(22-15)23-18(25)11-30-12-19(26)29-10-16(24)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,22,23,25)
InChIKey	ZZOOPUKAVKKTKA-UHFFFAOYSA-N
NMR Offset	14.5168
NMR Spectrometer Frequency	300.133
Observed nucleus	1H
Origin	1H_ASIOH_8516_6489
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: ZI/6075891; Labnumber: L-23/0003570; IOH_ID: IOH-013493
Temperature	297 °C