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1-[3,5,5,5-tetrachloro-1-(2,4,4,4-tetrachlorobutyl)pentyl]pyrimidine-2,4-quinone
SpectraBase Compound ID ClvBn6Ap49N
InChI InChI=1S/C13H14Cl8N2O2/c14-7(5-12(16,17)18)3-9(4-8(15)6-13(19,20)21)23-2-1-10(24)22-11(23)25/h1-2,7-9H,3-6H2,(H,22,24,25)
InChIKey VDTYHGIXDVBWEM-UHFFFAOYSA-N
Mol Weight 513.9 g/mol
Molecular Formula C13H14Cl8N2O2
Exact Mass 509.856349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AUzXJTJfws
Name 1-[3,5,5,5-tetrachloro-1-(2,4,4,4-tetrachlorobutyl)pentyl]pyrimidine-2,4-quinone
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14Cl8N2O2
InChI InChI=1S/C13H14Cl8N2O2/c14-7(5-12(16,17)18)3-9(4-8(15)6-13(19,20)21)23-2-1-10(24)22-11(23)25/h1-2,7-9H,3-6H2,(H,22,24,25)
InChIKey VDTYHGIXDVBWEM-UHFFFAOYSA-N
Literature Reference Author J.Y.TSAI,K.H.BOUHADIR,J.L.ZHOU,T.R.WEBB,Y.SUN,P.B.SHEVLIN
Literature Reference Citation J.ORG.CHEM.,68,1235(2003)
Literature Reference DOI 10.1021/jo026379k
Molecular Weight 513.890 g/mol
Solvent DMSO-D6
Source File Reference UWVN25461