carbamimidothioic acid, N-(1,3-benzodioxol-5-yl)-N'-[(E)-methyl]-, 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl ester

SpectraBase Compound ID	4GHLauqITSy
InChI	InChI=1S/C19H16IN3O4S/c1-21-19(22-12-4-7-14-15(8-12)27-10-26-14)28-16-9-17(24)23(18(16)25)13-5-2-11(20)3-6-13/h2-8,16H,9-10H2,1H3,(H,21,22)
InChIKey	PTRCKDOGLIXWIH-UHFFFAOYSA-N Google Search
Mol Weight	509.32 g/mol
Molecular Formula	C19H16IN3O4S
Exact Mass	508.990622 g/mol

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SpectraBase Spectrum ID	H0yU7EXgWNe
Name	1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl N'-(1,3-benzodioxol-5-yl)-N-methylimidothiocarbamate
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/C19H16IN3O4S/c1-21-19(22-12-4-7-14-15(8-12)27-10-26-14)28-16-9-17(24)23(18(16)25)13-5-2-11(20)3-6-13/h2-8,16H,9-10H2,1H3,(H,21,22)
InChIKey	PTRCKDOGLIXWIH-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_206
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/8092592; Labnumber: PE-0002758