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2-(3-Bromopropoxy)-3-methylnaphthalene-1,4-dione
SpectraBase Compound ID KYvqXao3WE5
InChI InChI=1S/C14H13BrO3/c1-9-12(16)10-5-2-3-6-11(10)13(17)14(9)18-8-4-7-15/h2-3,5-6H,4,7-8H2,1H3
InChIKey AVTLATREMRAWNQ-UHFFFAOYSA-N
Mol Weight 309.16 g/mol
Molecular Formula C14H13BrO3
Exact Mass 308.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZQricDE4Gl
Name 2-(3-Bromopropoxy)-3-methylnaphthalene-1,4-dione
Appearance Yellow oil
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Formula C14H13BrO3
InChI InChI=1S/C14H13BrO3/c1-9-12(16)10-5-2-3-6-11(10)13(17)14(9)18-8-4-7-15/h2-3,5-6H,4,7-8H2,1H3
InChIKey AVTLATREMRAWNQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 309.159 g/mol
SMILES C(Br)CCOC=1C(c2c(C(C1C)=O)cccc2)=O
SPLASH splash10-0fk9-0940000000-1eb0037663c8ed50377a
Source of Spectrum MCS-3-SM5-27c
Thin-Layer Chromatography Rf = 0.71 (hexanes/EtOAc, 7:1)
Wiley ID 1864062