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(3E)-1,1,1-trichloro-3-[2-(trichloromethyl)-4,5-dihydropyrrolo[5,1-e]pyrazol-6-ylidene]acetone
SpectraBase Compound ID 1kHaE8zCrja
InChI InChI=1S/C10H6Cl6N2O/c11-9(12,13)7-3-5-1-2-6(18(5)17-7)4-8(19)10(14,15)16/h3-4H,1-2H2/b6-4+
InChIKey ROGCGNZGPVYGGZ-GQCTYLIASA-N
Mol Weight 382.9 g/mol
Molecular Formula C10H6Cl6N2O
Exact Mass 379.861129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Et5xlrAVQb
Name (3E)-1,1,1-trichloro-3-[2-(trichloromethyl)-4,5-dihydropyrrolo[5,1-e]pyrazol-6-ylidene]acetone
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6Cl6N2O
InChI InChI=1S/C10H6Cl6N2O/c11-9(12,13)7-3-5-1-2-6(18(5)17-7)4-8(19)10(14,15)16/h3-4H,1-2H2/b6-4+
InChIKey ROGCGNZGPVYGGZ-GQCTYLIASA-N
Literature Reference Author M.A.P.MARTINS,W.CUNICO,G.M.SIQUEIRA,V.L.LEIDENS,N.ZANATTA,H. G.BONACORSO,A.F.C.FL
Literature Reference Citation J.BRAZ.CHEM.SOC.,16,275(2005)
Literature Reference DOI 10.1590/s0103-50532005000200022
Molecular Weight 382.888 g/mol
Solvent ACETONE-D6
Source File Reference UWLU7107