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3-Penten-2-one,4-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-tyl)
SpectraBase Compound ID LSHNvNEFjgH
InChI InChI=1S/C14H20O3/c1-9(6-11(3)15)14-10(2)7-12(16-17-14)8-13(14,4)5/h6-7,12H,8H2,1-5H3/b9-6+/t12-,14+/m0/s1
InChIKey ODHFYRSEBHTWLS-VNCGOTGNSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 646iAcuwfzp
Name 3-Penten-2-one,4-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-tyl)
Alternate Name(s) (3E)-4-(6,7,7-Trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-3-penten-2-one (E)-4-(5,8,8-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-4-yl)-3-penten-2-one (E)-4-(5,8,8-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-4-yl)pent-3-en-2-one
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-9(6-11(3)15)14-10(2)7-12(16-17-14)8-13(14,4)5/h6-7,12H,8H2,1-5H3/b9-6+/t12-,14+/m0/s1
InChIKey ODHFYRSEBHTWLS-VNCGOTGNSA-N
Molecular Weight 236.311 g/mol
SMILES C1C([C@@]2(OO[C@]1(C=C2C)[H])\C(=C\C(=O)C)C)(C)C
SPLASH splash10-000f-7900000000-89202fe2f603263d3284
Wiley ID 1478411