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3-Bromo-5,8-diacetoxynaphtho[2,3-d]isoxazole-4,9-dione
SpectraBase Compound ID HITVJgBmpkC
InChI InChI=1S/C15H8BrNO7/c1-5(18)22-7-3-4-8(23-6(2)19)10-9(7)12(20)11-14(13(10)21)24-17-15(11)16/h3-4H,1-2H3
InChIKey PPGHDELKLMCURH-UHFFFAOYSA-N
Mol Weight 394.13 g/mol
Molecular Formula C15H8BrNO7
Exact Mass 392.948415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amc4C0K4VVl
Name 3-Bromo-5,8-diacetoxynaphtho[2,3-d]isoxazole-4,9-dione
Alternate Name(s) 5-(acetyloxy)-3-bromo-4,9-dioxo-4,9-dihydronaphtho[2,3-d]isoxazol-8-yl acetate
Comments Removed - expert review: contamination (acetone))
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Formula C15H8BrNO7
InChI InChI=1S/C15H8BrNO7/c1-5(18)22-7-3-4-8(23-6(2)19)10-9(7)12(20)11-14(13(10)21)24-17-15(11)16/h3-4H,1-2H3
InChIKey PPGHDELKLMCURH-UHFFFAOYSA-N
Molecular Weight 394.133 g/mol
SMILES c12c(C(=O)c3c(C2=O)c(OC(=O)C)ccc3OC(=O)C)c(Br)no1
SPLASH splash10-0006-9000000000-4592b1fcbf9eb9bb9755
Source of Spectrum H1-40-422-10
Wiley ID 756864