(2E,5E)-3-methyl-2-[(E)-methylimino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidin-4-one

SpectraBase Compound ID	As3QNkswUoR
InChI	InChI=1S/C13H11N3O5S/c1-14-13-15(2)12(17)11(22-13)4-7-3-9-10(21-6-20-9)5-8(7)16(18)19/h3-5H,6H2,1-2H3/b11-4+,14-13+
InChIKey	VISXSUREQUFGII-HEGPDBOCSA-N Google Search
Mol Weight	321.31 g/mol
Molecular Formula	C13H11N3O5S
Exact Mass	321.041942 g/mol

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SpectraBase Spectrum ID	J4kTjI1A8gF
Name	(2E,5E)-3-methyl-2-[(E)-methylimino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidin-4-one
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/C13H11N3O5S/c1-14-13-15(2)12(17)11(22-13)4-7-3-9-10(21-6-20-9)5-8(7)16(18)19/h3-5H,6H2,1-2H3/b11-4+,14-13+
InChIKey	VISXSUREQUFGII-HEGPDBOCSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_4524
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: ZI/8123892; Labnumber: SAD-1500079; IOH_ID: IOH-004525
Synonyms	3-methyl-2-[methylimino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidin-4-one
Temperature	303 °C