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3,3-Dimethoxy-5-ethanoyl-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID AFYwLrTAkj1
InChI InChI=1S/C14H18O6/c1-7(15)8-5-9-10(13(17)18-2)6-11(8)14(19-3,20-4)12(9)16/h5,9-11H,6H2,1-4H3/t9-,10?,11-/m0/s1
InChIKey MPNGVHNLQDTPKL-JRUYECLLSA-N
Mol Weight 282.29 g/mol
Molecular Formula C14H18O6
Exact Mass 282.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELu5svJiW4L
Name 3,3-Dimethoxy-5-ethanoyl-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O6
InChI InChI=1S/C14H18O6/c1-7(15)8-5-9-10(13(17)18-2)6-11(8)14(19-3,20-4)12(9)16/h5,9-11H,6H2,1-4H3/t9-,10?,11-/m0/s1
InChIKey MPNGVHNLQDTPKL-JRUYECLLSA-N
Molecular Weight 282.292 g/mol
SMILES C1([C@@]2(C(C(=O)C)=C[C@](C1=O)(C(C(=O)OC)C2)[H])[H])(OC)OC
SPLASH splash10-0f6t-0970000000-67bcb17572843b9bdf31
Source of Spectrum J-64-4109-17
Synonyms (1R*,4S*,7S*)-3,3-Dimethoxy-5-ethanoyl-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one methyl 5-acetyl-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1530308