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10-(Ethoxycarbonyl)-9-propylidenebicyclo[3.2.2]nona-3,6-dien-2-one isomer
SpectraBase Compound ID KjHQ9kJNYuK
InChI InChI=1S/C15H18O3/c1-3-5-11-10-6-8-12(13(16)9-7-10)14(11)15(17)18-4-2/h5-10,12,14H,3-4H2,1-2H3/b11-5+/t10-,12+,14-/m0/s1
InChIKey ZQNTVKRLUYCYMB-VZUCSPMQSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqLmB5WhbEm
Name 10-(Ethoxycarbonyl)-9-propylidenebicyclo[3.2.2]nona-3,6-dien-2-one isomer
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-5-11-10-6-8-12(13(16)9-7-10)14(11)15(17)18-4-2/h5-10,12,14H,3-4H2,1-2H3/b11-5+/t10-,12+,14+/m1/s1
InChIKey ZQNTVKRLUYCYMB-VZUCSPMQSA-N
Molecular Weight 246.306 g/mol
SMILES [C@]1(\C([C@]2(C=CC([C@@]1(C=C2)[H])=O)[H])=C\CC)(C(=O)OCC)[H]
SPLASH splash10-00di-0910000000-29a37599600bd40a4933
Source of Spectrum F-49-6738-6
Synonyms 9-(Ethoxycarbonyl)-10-propylidenebicyclo[3.2.2]nona-3,6-dien-2-one isomer
Wiley ID 1249297