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(1S,2R,4R,8R)-2,4-dimethoxy-3-oxidanylidene-8-prop-1-en-2-yl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
SpectraBase Compound ID EitL97Ak8if
InChI InChI=1S/C14H18O4/c1-9(2)11-7-10-5-6-13(11,17-3)12(16)14(10,8-15)18-4/h5-6,8,10-11H,1,7H2,2-4H3/t10-,11-,13-,14+/m1/s1
InChIKey PBBQLYVJHPZLQQ-OXHZDVMGSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UAuqfWi8AF
Name (1S,2R,4R,8R)-2,4-dimethoxy-3-oxidanylidene-8-prop-1-en-2-yl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Alternate Name(s) (1S,2R,4R,8R)-2,4-dimethoxy-3-oxo-8-prop-1-en-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde (1S,2R,4R,8R)-2,4-dimethoxy-8-(1-methylethenyl)-3-oxo-2-bicyclo[2.2.2]oct-5-enecarboxaldehyde (1S,2R,4R,8R)-8-isopropenyl-2,4-dimethoxy-3-oxo-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (1S,2R,4R,8R)-8-isopropenyl-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9(2)11-7-10-5-6-13(11,17-3)12(16)14(10,8-15)18-4/h5-6,8,10-11H,1,7H2,2-4H3/t10-,11-,13-,14+/m1/s1
InChIKey PBBQLYVJHPZLQQ-OXHZDVMGSA-N
Molecular Weight 250.294 g/mol
SMILES [C@]12(C([C@@](C=O)(OC)[C@](C=C2)(C[C@@]1(C(=C)C)[H])[H])=O)OC
SPLASH splash10-00di-0090000000-725b411cb0f1ba3701e8
Source of Spectrum KC-0-569-20
Wiley ID 787494