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2-(10-Bromodecyloxy)-3-methylnaphthalene-1,4-dione
SpectraBase Compound ID 2rqYaH7iM48
InChI InChI=1S/C21H27BrO3/c1-16-19(23)17-12-8-9-13-18(17)20(24)21(16)25-15-11-7-5-3-2-4-6-10-14-22/h8-9,12-13H,2-7,10-11,14-15H2,1H3
InChIKey VYFBXBOORDYOQH-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C21H27BrO3
Exact Mass 406.114358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZDBVgmXpNy
Name 2-(10-Bromodecyloxy)-3-methylnaphthalene-1,4-dione
Appearance Yellow oil
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Formula C21H27BrO3
InChI InChI=1S/C21H27BrO3/c1-16-19(23)17-12-8-9-13-18(17)20(24)21(16)25-15-11-7-5-3-2-4-6-10-14-22/h8-9,12-13H,2-7,10-11,14-15H2,1H3
InChIKey VYFBXBOORDYOQH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 407.348 g/mol
SMILES C(Br)CCCCCCCCCOC=1C(c2c(C(C1C)=O)cccc2)=O
SPLASH splash10-000i-0920000000-93024428f7126199cb9d
Source of Spectrum MCS-3-SM5-27a
Thin-Layer Chromatography Rf = 0.62 (hexanes/EtOAc, 7:1)
Wiley ID 1864060