3,5-bis[(carboxymethyl)thio]-4-isothiazolecarbonitrile, diethyl ester

SpectraBase Compound ID	JYcRMnoePkZ
InChI	InChI=1S/C12H14N2O4S3/c1-3-17-9(15)6-19-11-8(5-13)12(21-14-11)20-7-10(16)18-4-2/h3-4,6-7H2,1-2H3
InChIKey	UBZJVVBKPRCRAD-UHFFFAOYSA-N Google Search
Mol Weight	346.43 g/mol
Molecular Formula	C12H14N2O4S3
Exact Mass	346.01157 g/mol

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SpectraBase Spectrum ID	A1J7P6GVbT7
Name	ethyl ({4-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-isothiazolyl}sulfanyl)acetate
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/C12H14N2O4S3/c1-3-17-9(15)6-19-11-8(5-13)12(21-14-11)20-7-10(16)18-4-2/h3-4,6-7H2,1-2H3
InChIKey	UBZJVVBKPRCRAD-UHFFFAOYSA-N
NMR Offset	16.4447
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_2999
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: TSH/5636707; IOH_ID: IOH-003000
Temperature	297 °C