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2-Methyl-3-(3-bromo-benzyl)-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID GSOrg52oHM1
InChI InChI=1S/C18H13BrO2/c1-11-16(10-12-5-4-6-13(19)9-12)18(21)15-8-3-2-7-14(15)17(11)20/h2-9H,10H2,1H3
InChIKey XYSNBGDPMJYVPN-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 12FtANcVDaT
Name 2-Methyl-3-(3-bromo-benzyl)-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Yellow solid
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Formula C18H13BrO2
InChI InChI=1S/C18H13BrO2/c1-11-16(10-12-5-4-6-13(19)9-12)18(21)15-8-3-2-7-14(15)17(11)20/h2-9H,10H2,1H3
InChIKey XYSNBGDPMJYVPN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 341.204 g/mol
SMILES c1cc2c(C(C(=C(C2=O)C)Cc2cccc(c2)Br)=O)cc1
SPLASH splash10-004i-0029000000-1e862c212c123673cd66
Source of Spectrum US20110059972A1
Wiley ID 1861712