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Methyl 12-oxopentacyclo[5.4.0.0(2,5).0(3,11).0(4,8)]undecane-11-carboxylate
SpectraBase Compound ID 8Hw5WJMW4Ts
InChI InChI=1S/C13H14O3/c1-16-12(15)13-7(14)3-4-5-2-6-8(4)11(13)9(6)10(5)13/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,8-,9+,10-,11+,13+/m0/s1
InChIKey GWBPMIJKPJJBBO-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KWWnnIFeNt
Name Methyl 12-oxopentacyclo[5.4.0.0(2,5).0(3,11).0(4,8)]undecane-11-carboxylate
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-12(15)13-7(14)3-4-5-2-6-8(4)11(13)9(6)10(5)13/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,8-,9+,10-,11+,13+/m0/s1
InChIKey GWBPMIJKPJJBBO-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES [C@]12([C@]3([C@]4(C[C@]5([C@]3([C@]2([C@]5([C@]4(CC1=O)[H])[H])[H])[H])[H])[H])[H])C(=O)OC
SPLASH splash10-016r-7900000000-551bc0c6708cc6590c7d
Source of Spectrum F-49-2618-6
Synonyms Methyl 10-oxopentacyclo[5.4.0.0(2,5).0(3,11).0(4,8)]undecane-11-carboxylate
Wiley ID 1217793