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2-Methyl-3-(4-bromo-benzyl)-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID ECQK0JUr5G
InChI InChI=1S/C18H13BrO2/c1-11-16(10-12-6-8-13(19)9-7-12)18(21)15-5-3-2-4-14(15)17(11)20/h2-9H,10H2,1H3
InChIKey DSMFIYAHBRXCGL-UHFFFAOYSA-N
Mol Weight 341.2 g/mol
Molecular Formula C18H13BrO2
Exact Mass 340.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3n3N48ME52
Name 2-Methyl-3-(4-bromo-benzyl)-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Yellow solid
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Formula C18H13BrO2
InChI InChI=1S/C18H13BrO2/c1-11-16(10-12-6-8-13(19)9-7-12)18(21)15-5-3-2-4-14(15)17(11)20/h2-9H,10H2,1H3
InChIKey DSMFIYAHBRXCGL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 341.204 g/mol
SMILES c1cc2c(cc1)C(C(=C(C2=O)C)Cc1ccc(cc1)Br)=O
SPLASH splash10-004i-4496000000-a1058e64b303d4077b8c
Source of Spectrum US20110059972A1
Wiley ID 1861684