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2-(5-Bromopentyl)-3-hydroxynaphthalene-1,4-dione
SpectraBase Compound ID 9sEfmN2deJC
InChI InChI=1S/C15H15BrO3/c16-9-5-1-2-8-12-13(17)10-6-3-4-7-11(10)14(18)15(12)19/h3-4,6-7,19H,1-2,5,8-9H2
InChIKey HDVHIDCAMRBXLX-UHFFFAOYSA-N
Mol Weight 323.19 g/mol
Molecular Formula C15H15BrO3
Exact Mass 322.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg8tQS0U2Iy
Name 2-(5-Bromopentyl)-3-hydroxynaphthalene-1,4-dione
Appearance Yellow solid
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Formula C15H15BrO3
InChI InChI=1S/C15H15BrO3/c16-9-5-1-2-8-12-13(17)10-6-3-4-7-11(10)14(18)15(12)19/h3-4,6-7,19H,1-2,5,8-9H2
InChIKey HDVHIDCAMRBXLX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 323.186 g/mol
SMILES OC1=C(CCCCCBr)C(c2c(C1=O)cccc2)=O
SPLASH splash10-000i-0923000000-a1edc59bb2990f5a3434
Source of Spectrum MCS-3-SM2-6a
Thin-Layer Chromatography Rf = 0.36 (hexanes/EtOAc, 7:1)
Wiley ID 1864077