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2-Methyl-3-(4-bromo-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID Ga0oJdv8GP4
InChI InChI=1S/C18H11BrO3/c1-10-15(17(21)11-6-8-12(19)9-7-11)18(22)14-5-3-2-4-13(14)16(10)20/h2-9H,1H3
InChIKey JXLYISQPIWAIBA-UHFFFAOYSA-N
Mol Weight 355.19 g/mol
Molecular Formula C18H11BrO3
Exact Mass 353.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fy5RwtXStMt
Name 2-Methyl-3-(4-bromo-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Yellow solid
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Formula C18H11BrO3
InChI InChI=1S/C18H11BrO3/c1-10-15(17(21)11-6-8-12(19)9-7-11)18(22)14-5-3-2-4-13(14)16(10)20/h2-9H,1H3
InChIKey JXLYISQPIWAIBA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 355.187 g/mol
SMILES c1cc2c(C(C(=C(C2=O)C)C(c2ccc(cc2)Br)=O)=O)cc1
SPLASH splash10-0059-3973000000-dec2628f15e325157f52
Source of Spectrum US20110059972A1
Wiley ID 1861685