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exo-3-oxa-tricyclo[3.2.2.0(2,4)]nonene-(6)-dicarboxylicacid-(6,7)-dimethylester-dicarboxylicacid-(8,9)-anhydride
SpectraBase Compound ID JbqffPI21gP
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-7-8(14(18)22-13(7)17)4(10-9(3)21-10)6(5)12(16)20-2/h3-4,7-10H,1-2H3/t3-,4+,7-,8+,9-,10+
InChIKey XNSVGPDITLKIFU-MWISTKOGSA-N
Mol Weight 308.24 g/mol
Molecular Formula C14H12O8
Exact Mass 308.053217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQn10pASxP1
Name exo-3-oxa-tricyclo[3.2.2.0(2,4)]nonene-(6)-dicarboxylicacid-(6,7)-dimethylester-dicarboxylicacid-(8,9)-anhydride
Alternate Name(s) Dimethyl (1aR,2S,2aR,5aS,6R,6aS)-3,5-dioxo-1a,2,2a,3,5,5a,6,6a-octahydro-2,6-ethenooxireno[2,3-f]isobenzofuran-7,8-dicarboxylate
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Formula C14H12O8
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-7-8(14(18)22-13(7)17)4(10-9(3)21-10)6(5)12(16)20-2/h3-4,7-10H,1-2H3/t3-,4+,7-,8+,9-,10+
InChIKey XNSVGPDITLKIFU-MWISTKOGSA-N
Literature Reference DOI 10.1002/hlca.19710540823
Molecular Weight 308.242 g/mol
SMILES COC(=O)C1=C(C(OC)=O)[C@@]2([C@@]3([C@]([C@]1([C@@]1(O[C@]21[H])[H])[H])(C(OC3=O)=O)[H])[H])[H]
SPLASH splash10-056r-7960000000-57d3d9dbef179fd8cd76
Source of Spectrum H-54-2598-29a(30a)
Wiley ID 1799894