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2-[(Methoxycarbonyl)methyl]bicyclo3.3.1]nona-6-ene-8-one isomer
SpectraBase Compound ID 74sZjaWwkIH
InChI InChI=1S/C12H16O3/c1-15-12(14)7-9-4-2-8-3-5-11(13)10(9)6-8/h3,5,8-10H,2,4,6-7H2,1H3/t8?,9-,10?/m1/s1
InChIKey BFAWXODAEDZZPC-HWOCKDDLSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FxtNyuja0O
Name 2-[(Methoxycarbonyl)methyl]bicyclo3.3.1]nona-6-ene-8-one isomer
Alternate Name(s) ((1R,2R,5R)-8-Oxo-bicyclo[3.3.1]non-6-en-2-yl)-acetic acid methyl ester
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Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-15-12(14)7-9-4-2-8-3-5-11(13)10(9)6-8/h3,5,8-10H,2,4,6-7H2,1H3/t8?,9-,10?/m1/s1
InChIKey BFAWXODAEDZZPC-HWOCKDDLSA-N
Molecular Weight 208.257 g/mol
SMILES C12C(C=CC(C2)CC[C@@]1(CC(=O)OC)[H])=O
SPLASH splash10-0a5m-9710000000-e26d07169e672f9fa2fd
Source of Spectrum AJ-65-2945-30
Wiley ID 771788