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2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 3xuMQIGdZlt
InChI InChI=1S/C13H18O7/c1-3-17-11(15)10(12(16)18-4-2)7-5-8(14)13-19-6-9(7)20-13/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,13+/m0/s1
InChIKey XHQSFSOWMKXHFK-WIMUKIRHSA-N
Mol Weight 286.28 g/mol
Molecular Formula C13H18O7
Exact Mass 286.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80qDrqP7dXg
Name 2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Alternate Name(s) (2R,5R)-2-[bis(Ethoxycarbonyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 1,3-Diethyl 2-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}propanedioate
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Formula C13H18O7
InChI InChI=1S/C13H18O7/c1-3-17-11(15)10(12(16)18-4-2)7-5-8(14)13-19-6-9(7)20-13/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,13+/m0/s1
InChIKey XHQSFSOWMKXHFK-WIMUKIRHSA-N
Molecular Weight 286.280 g/mol
SMILES [C@]1(C(C(=O)OCC)C(=O)OCC)([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH splash10-000i-9410000000-452da5b34f8f5e16e919
Source of Spectrum QF-48-154-7
Wiley ID 834049