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2-Bromo-3-[4-(2-methyl-[1,3]dioxolan-2-yl)-3-oxobutyl]-[1,4]naphthoquinone
SpectraBase Compound ID KgmJNQ9vYXa
InChI InChI=1S/C18H17BrO5/c1-18(23-8-9-24-18)10-11(20)6-7-14-15(19)17(22)13-5-3-2-4-12(13)16(14)21/h2-5H,6-10H2,1H3
InChIKey ALQLCJSADYXRLE-UHFFFAOYSA-N
Mol Weight 393.23 g/mol
Molecular Formula C18H17BrO5
Exact Mass 392.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HIZYQi6I8d
Name 2-Bromo-3-[4-(2-methyl-[1,3]dioxolan-2-yl)-3-oxobutyl]-[1,4]naphthoquinone
Alternate Name(s) 2-Bromo-3-(4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl)naphthalene-1,4-dione 2-Bromo-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]naphthalene-1,4-dione 2-Bromo-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-butyl]naphthalene-1,4-dione 2-Bromanyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-butyl]naphthalene-1,4-dione
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Formula C18H17BrO5
InChI InChI=1S/C18H17BrO5/c1-18(23-8-9-24-18)10-11(20)6-7-14-15(19)17(22)13-5-3-2-4-12(13)16(14)21/h2-5H,6-10H2,1H3
InChIKey ALQLCJSADYXRLE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400211
Molecular Weight 393.233 g/mol
SMILES C1(C(=C(C(c2ccccc12)=O)CCC(CC1(OCCO1)C)=O)Br)=O
SPLASH splash10-000i-9052000000-b69fc8000b90aeed5b83
Source of Spectrum JF-340-172-4a
Wiley ID 1766547