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1-OXO-2-[HYDROXY(ISOTHIOUREIDO)METHYLENE]-3-THIOUREIDO-4,5-DICHLOROCYCLOPENT-4-ENE-TRIS(THIOUREA) ADDUCT
SpectraBase Compound ID 2bnDxpB8AJ3
InChI InChI=1S/C8H6Cl2N4O2S2.3CH4N2S/c9-2-3(10)5(15)1(4(2)14-8(13)17)6(16)18-7(11)12;3*2-1(3)4/h16H,(H3,11,12)(H2,13,17);3*(H4,2,3,4)/b6-1-,14-4-;;;
InChIKey GEZGHAGQYTZNAY-FCZPIDGTSA-N
Mol Weight 555.6 g/mol
Molecular Formula C11H20Cl2N10O2S5
Exact Mass 553.975131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrijtfVpUpq
Name 1-OXO-2-[HYDROXY(ISOTHIOUREIDO)METHYLENE]-3-THIOUREIDO-4,5-DICHLOROCYCLOPENT-4-ENE-TRIS(THIOUREA) ADDUCT
Comments Y-b
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20Cl2N10O2S5
InChI InChI=1S/C8H6Cl2N4O2S2.3CH4N2S/c9-2-3(10)5(15)1(4(2)14-8(13)17)6(16)18-7(11)12;3*2-1(3)4/h16H,(H3,11,12)(H2,13,17);3*(H4,2,3,4)/b6-1-,14-4-;;;
InChIKey GEZGHAGQYTZNAY-FCZPIDGTSA-N
Instrument Name Bruker AC-200
Literature Reference V.P.TALZI, G.V.MONGUSTOVA (1992) Zhurn.Obsch.Khim.(Russ. Lang.): v.62, N9, 2015-2018.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H6SO dimethylsulfo