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3-(3-Oxo-2-oxa-bicyclo(2.2.2)oct-4-yl)-2-oxo-propionic acid, ethyl ester
SpectraBase Compound ID BjkRCqsuIHx
InChI InChI=1S/C12H16O5/c1-2-16-10(14)9(13)7-12-5-3-8(4-6-12)17-11(12)15/h8H,2-7H2,1H3/t8-,12+
InChIKey LOPMIDBIMVUURE-LYWQIFSTSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kyptY5llA
Name 3-(3-Oxo-2-oxabicyclo[2.2.2]oct-4-yl)2-oxopropionic acid-ethylester
Alternate Name(s) Ethyl 2-oxo-3-((1s,4s)-3-oxo-2-oxabicyclo[2.2.2]octan-4-yl)propanoate
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Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-2-16-10(14)9(13)7-12-5-3-8(4-6-12)17-11(12)15/h8H,2-7H2,1H3/t8-,12+
InChIKey LOPMIDBIMVUURE-LYWQIFSTSA-N
Molecular Weight 240.255 g/mol
SMILES C1C[C@]2(C(O[C@@]1(CC2)[H])=O)CC(C(=O)OCC)=O
SPLASH splash10-014r-0900000000-ba5c9af395b8586cddbc
Source of Spectrum K-112-1565-23
Wiley ID 1792521