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3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID KdgQ3FZlEE2
InChI InChI=1S/C14H18O5/c1-7(15)9-6-12-10(8(2)16)5-11(9)13(17)14(12,18-3)19-4/h5,9,11-12H,6H2,1-4H3/t9?,11-,12-/m0/s1
InChIKey KNQBSEVPHRETIA-WEBCLNCGSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S3hpAc4HXz
Name 3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-7(15)9-6-12-10(8(2)16)5-11(9)13(17)14(12,18-3)19-4/h5,9,11-12H,6H2,1-4H3/t9?,11-,12-/m0/s1
InChIKey KNQBSEVPHRETIA-WEBCLNCGSA-N
Molecular Weight 266.293 g/mol
SMILES C1([C@@]2(C(C(=O)C)=C[C@](C1=O)(C(C(=O)C)C2)[H])[H])(OC)OC
SPLASH splash10-0002-0910000000-c032180f16215498020c
Source of Spectrum J-64-4109-17
Synonyms (1R*,4S*,7S*)-3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one 5,7-diacetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1530306