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5-ACETOXY-2-BROMO-3-(BROMOMETHYL)-[1.4]-NAPHTHOQUINONE
SpectraBase Compound ID AHqxplJHzxZ
InChI InChI=1S/C13H8Br2O4/c1-6(16)19-9-4-2-3-7-10(9)12(17)8(5-14)11(15)13(7)18/h2-4H,5H2,1H3
InChIKey ATDIRBXQCOXPHU-UHFFFAOYSA-N
Mol Weight 388.01 g/mol
Molecular Formula C13H8Br2O4
Exact Mass 385.878935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gbl3px4T0CV
Name 5-Acetoxy-2-bromo-3-(bromoethyl)[1,4]naphthoquinone
Alternate Name(s) 5-Acetoxy-2-bromo-3-(bromomethyl)[1,4]naphthoquinone Acetic acid [6-bromo-7-(bromomethyl)-5,8-dioxo-1-naphthalenyl] ester [6-bromo-7-(bromomethyl)-5,8-dioxonaphthalen-1-yl] acetate [6-bromo-7-(bromomethyl)-5,8-dioxo-1-naphthyl] acetate [6-bromanyl-7-(bromomethyl)-5,8-bis(oxidanylidene)naphthalen-1-yl] ethanoate
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Formula C13H8Br2O4
InChI InChI=1S/C13H8Br2O4/c1-6(16)19-9-4-2-3-7-10(9)12(17)8(5-14)11(15)13(7)18/h2-4H,5H2,1H3
InChIKey ATDIRBXQCOXPHU-UHFFFAOYSA-N
Molecular Weight 388.011 g/mol
SMILES C=1(C(c2c(OC(=O)C)cccc2C(C1Br)=O)=O)CBr
SPLASH splash10-00ke-2095000000-c7a9965d7781bd3fdd8f
Source of Spectrum J-62-2353-3
Wiley ID 1362397