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1,2,3,8,9,11a-Hexahydro-3a,8-methano-3-carbomethoxy-3aH-cyclopentacyclodecen-12-one
SpectraBase Compound ID CrSFnsqkpNE
InChI InChI=1S/C16H18O3/c1-19-15(18)13-9-8-12-7-4-6-11-5-2-3-10-16(12,13)14(11)17/h2-5,7,10-13H,6,8-9H2,1H3/t11-,12+,13?,16+/m1/s1
InChIKey YAXUFJXAJYGJPK-DQQTZSMXSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPBn3ktUf5b
Name 1,2,3,8,9,11a-Hexahydro-3a,8-methano-3-carbomethoxy-3aH-cyclopentacyclodecen-12-one
Alternate Name(s) (1S,5R,9S)-14-Oxo-tricyclo[7.4.1.0*1,5*]tetradeca-6,10,12-triene-2-carboxylic acid methyl ester Methyl 14-oxotricyclo[7.4.1.0(1,5)]tetradeca-6,10,12-triene-2-carboxylate
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Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-19-15(18)13-9-8-12-7-4-6-11-5-2-3-10-16(12,13)14(11)17/h2-5,7,10-13H,6,8-9H2,1H3/t11-,12+,13?,16+/m1/s1
InChIKey YAXUFJXAJYGJPK-DQQTZSMXSA-N
Molecular Weight 258.317 g/mol
SMILES [C@]123C([C@](C=CC=C3)(CC=C[C@]1(CCC2C(=O)OC)[H])[H])=O
SPLASH splash10-004i-0790000000-2a3e21c2221829e802e9
Source of Spectrum J-61-847-12
Wiley ID 1262081