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3-(4-Bromo-benzyl)-5-hydroxy-2-methyl-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID 7oysa8PmPHX
InChI InChI=1S/C18H13BrO3/c1-10-14(9-11-5-7-12(19)8-6-11)18(22)16-13(17(10)21)3-2-4-15(16)20/h2-8,20H,9H2,1H3
InChIKey FRPFAYDCRZIMHF-UHFFFAOYSA-N
Mol Weight 357.2 g/mol
Molecular Formula C18H13BrO3
Exact Mass 356.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A9z21gMgy
Name 3-(4-Bromo-benzyl)-5-hydroxy-2-methyl-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Red solid
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Formula C18H13BrO3
InChI InChI=1S/C18H13BrO3/c1-10-14(9-11-5-7-12(19)8-6-11)18(22)16-13(17(10)21)3-2-4-15(16)20/h2-8,20H,9H2,1H3
InChIKey FRPFAYDCRZIMHF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 357.203 g/mol
SMILES Oc1c2c(ccc1)C(C(=C(C2=O)Cc1ccc(cc1)Br)C)=O
SPLASH splash10-054o-5219000000-83c01fb174c5739cec98
Source of Spectrum US20110059972A1
Wiley ID 1861694