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exo/endo-9-Oxa-tricylo[4.2.1.0(2,5)]nonene-(3)-dicarboxylicacid-(3,4)-dimetylester-dicarboxylicacid-(7,8)-anhydride
SpectraBase Compound ID 8JSszjRvCdH
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-4(6(5)12(16)20-2)10-8-7(9(3)21-10)13(17)22-14(8)18/h3-4,7-10H,1-2H3/t3-,4+,7+,8-,9+,10-
InChIKey LLWAGBPIWOOLDF-BINQGLCNSA-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 4EpmoC8oYBW
Name exo/endo-9-Oxa-tricylo[4.2.1.0(2,5)]nonene-(3)-dicarboxylicacid-(3,4)-dimetylester-dicarboxylicacid-(7,8)-anhydride
Alternate Name(s) Dimethyl (3aR,4R,4aS,6aR,7S,7aS)-1,3-dioxo-1,3,3a,4,4a,6a,7,7a-octahydro-4,7-epoxycyclobuta[f]isobenzofuran-5,6-dicarboxylate
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Formula C14H12O8
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-4(6(5)12(16)20-2)10-8-7(9(3)21-10)13(17)22-14(8)18/h3-4,7-10H,1-2H3/t3-,4+,7+,8-,9+,10-
InChIKey LLWAGBPIWOOLDF-BINQGLCNSA-N
Literature Reference DOI 10.1002/hlca.19710540823
Molecular Weight 308.242 g/mol
SMILES COC(=O)C=1[C@]2([C@]3(O[C@@]([C@]2(C1C(=O)OC)[H])([C@@]1([C@]3(C(OC1=O)=O)[H])[H])[H])[H])[H]
SPLASH splash10-0a6r-9873000000-52ca9119f745299d4575
Source of Spectrum H-54-2597-22a
Wiley ID 1799891