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(1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.,13.alpha.)-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxyloic acid anhydride
SpectraBase Compound ID 4WcY6HtlcfH
InChI InChI=1S/C18H16O4/c19-17-15-9-3-4-10(16(15)18(20)22-17)14-8-2-1-7(13(9)14)11-5-21-6-12(8)11/h1-4,7-14H,5-6H2/t7-,8?,9-,10?,11+,12-,13+,14-/m1/s1
InChIKey JBRICXLGCPXANM-MKXDDTHJSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNpatUeRlAQ
Name (1.alpha.,2.beta.,3.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.,13.alpha.)-11-oxapentacyclo[6.5.2.2(3,6).0(2,7).0(9,13)]heptadeca-4,14,16-trien-4,5-dicarboxyloic acid anhydride
Comments Less than 3 mono-isotopic peaks
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Formula C18H16O4
InChI InChI=1S/C18H16O4/c19-17-15-9-3-4-10(16(15)18(20)22-17)14-8-2-1-7(13(9)14)11-5-21-6-12(8)11/h1-4,7-14H,5-6H2/t7-,8?,9-,10?,11+,12-,13+,14-/m1/s1
InChIKey JBRICXLGCPXANM-MKXDDTHJSA-N
Molecular Weight 296.322 g/mol
SMILES C12=C(C(=O)OC2=O)C2C=C[C@@]1([C@]1([C@@]2(C2C=C[C@@]1([C@@]1(COC[C@]21[H])[H])[H])[H])[H])[H]
SPLASH splash10-004i-9020000000-b1e991fb2ee006cafab3
Source of Spectrum J-64-7263-1
Synonyms (1S,2S,3R)-6,14-dioxahexacyclo[9.5.2.2(3,9).0(2,10).0(4,8).0(12,16)]icosa-4(8),17,19-triene-5,7-dione
Wiley ID 1531047