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(E)-1,1,2,3,4-PENTACHLOROBUTA-1,3-DIENE
SpectraBase Compound ID jLQ9l4iSV7
InChI InChI=1S/C4HCl5/c5-1-2(6)3(7)4(8)9/h1H/b2-1+
InChIKey LMCCPYJNBKRUNQ-OWOJBTEDSA-N
Mol Weight 226.3 g/mol
Molecular Formula C4HCl5
Exact Mass 223.852089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWXUFMHQYww
Name (E)-1,1,2,3,4-PENTACHLOROBUTA-1,3-DIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4HCl5
InChI InChI=1S/C4HCl5/c5-1-2(6)3(7)4(8)9/h1H/b2-1+
InChIKey LMCCPYJNBKRUNQ-OWOJBTEDSA-N
Literature Reference Author D.BOTTA,E.MANTICA,L.CASTELLANI,G.DOTELLI,L.ZETTA
Literature Reference Citation MAGN.RES.CHEM.,36,885(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(1998120)36:12<885::aid-omr366>3.3.co;2-q
Molecular Weight 226.317 g/mol
Solvent ACETONE
Source File Reference UWBS125