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(3E)-6,8-dihydro-5H-1-benzoxecin-2,7-dione
SpectraBase Compound ID 4lahqXVjK6i
InChI InChI=1S/C13H12O3/c14-11-6-2-4-8-13(15)16-12-7-3-1-5-10(12)9-11/h1,3-5,7-8H,2,6,9H2/b8-4+
InChIKey WCNNURDXHJYRPS-XBXARRHUSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86xkI9terqS
Name (3E)-6,8-dihydro-5H-1-benzoxecin-2,7-dione
Alternate Name(s) (3E)-6,8-dihydro-5H-1-benzoxecin-2,7-quinone (3E)-6,8-dihydro-5H-1-benzoxecine-2,7-dione 5,6-Dihydro-2H-1-benzoxecine-2,7(8H)-dione 9,10-Dihydro-12H-5-oxabenzocyclodecene-6,11-dione
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Formula C13H12O3
InChI InChI=1S/C13H12O3/c14-11-6-2-4-8-13(15)16-12-7-3-1-5-10(12)9-11/h1,3-5,7-8H,2,6,9H2/b8-4+
InChIKey WCNNURDXHJYRPS-XBXARRHUSA-N
Molecular Weight 216.236 g/mol
SMILES C1(Oc2c(CC(CC\C=C\1)=O)cccc2)=O
SPLASH splash10-053r-9700000000-af3f24499b6e3c49ba6f
Wiley ID 1489592