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4,4,4-TRICHLORO-1-PHENYLBUTAN-1,3-DIONE
SpectraBase Compound ID LbZGX26DcXu
InChI InChI=1S/2C10H7Cl3O2/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h2*1-5H,6H2
InChIKey KVHSNTCSHXRRMX-UHFFFAOYSA-N
Mol Weight 531.05 g/mol
Molecular Formula C20H14Cl6O4
Exact Mass 527.902325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs1Zz73wCC
Name 4,4,4-TRICHLORO-1-PHENYLBUTAN-1,3-DIONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14Cl6O4
InChI InChI=1S/2C10H7Cl3O2/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h2*1-5H,6H2
InChIKey KVHSNTCSHXRRMX-UHFFFAOYSA-N
Literature Reference Author M.A.P.MARTINS,S.BRONDANI,V.L.LEIDENS,D.C.FLORES,S.MOURA,N.ZA NATTA,M.HOERNER,A.F.
Literature Reference Citation CAN.J.CHEM.,83,1171(2005)
Literature Reference DOI 10.1139/v05-130
Molecular Weight 531.047 g/mol
Solvent CDCl3;0.02M
Source File Reference UWLU30268