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2,3-Dioxabicyclo[2.2.2]oct-7-en-5-one, 1-(3-oxo-1-butenyl)-6,6,7-trimethyl
SpectraBase Compound ID uw9wAPaip7
InChI InChI=1S/C13H16O4/c1-8-7-10-11(15)12(3,4)13(8,17-16-10)6-5-9(2)14/h5-7,10H,1-4H3/b6-5+/t10-,13+/m0/s1
InChIKey PXYSPCLZADTBLJ-ZOLRFCATSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrPvrxzN1d9
Name 2,3-Dioxabicyclo[2.2.2]oct-7-en-5-one, 1-(3-oxo-1-butenyl)-6,6,7-trimethyl
Alternate Name(s) 4-[(E)-3-ketobut-1-enyl]-5,5,8-trimethyl-2,3-dioxabicyclo[2.2.2]oct-7-en-6-one 5,5,8-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]-2,3-dioxabicyclo[2.2.2]oct-7-en-6-one 5,5,8-trimethyl-4-[(E)-3-oxobut-1-enyl]-2,3-dioxabicyclo[2.2.2]oct-7-en-6-one 6,6,7-Trimethyl-1-[(1E)-3-oxo-1-butenyl]-2,3-dioxabicyclo[2.2.2]oct-7-en-5-one
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-7-10-11(15)12(3,4)13(8,17-16-10)6-5-9(2)14/h5-7,10H,1-4H3/b6-5+/t10-,13+/m0/s1
InChIKey PXYSPCLZADTBLJ-ZOLRFCATSA-N
Molecular Weight 236.267 g/mol
SMILES C1(C([C@@]2(OO[C@]1(C=C2C)[H])\C=C\C(=O)C)(C)C)=O
SPLASH splash10-0007-9400000000-815c7ff3a557e78e481b
Wiley ID 1478422