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Methyl .alpha.,6,6-trimethyl-3-oxobicyclo[3.1.1]heptane-2-propanoate
SpectraBase Compound ID 2LX0yL9qsd1
InChI InChI=1S/C14H22O3/c1-8(13(16)17-4)5-10-11-6-9(7-12(10)15)14(11,2)3/h8-11H,5-7H2,1-4H3/t8?,9-,10-,11+/m1/s1
InChIKey AHMSJNLUWSONDN-OCPDBYLZSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpLFG0vzcSF
Name Methyl .alpha.,6,6-trimethyl-3-oxobicyclo[3.1.1]heptane-2-propanoate
Alternate Name(s) 3-((1S,2R,5R)-6,6-Dimethyl-3-oxo-bicyclo[3.1.1]hept-2-yl)-2-methyl-propionic acid methyl ester Methyl 3-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)-2-methylpropanoate
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-8(13(16)17-4)5-10-11-6-9(7-12(10)15)14(11,2)3/h8-11H,5-7H2,1-4H3/t8?,9-,10-,11+/m1/s1
InChIKey AHMSJNLUWSONDN-OCPDBYLZSA-N
Molecular Weight 238.327 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(CC([C@@]1(CC(C(=O)OC)C)[H])=O)[H])[H]
SPLASH splash10-066u-9700000000-4d86b63929891b0b0b82
Source of Spectrum H-83-627-3
Wiley ID 846912