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2,11-Dimethylene-6-methoxymethyl-8-oxatricyclo[8.3.0.0(5,9)]tridecan-7-one isomer
SpectraBase Compound ID HH6fu0EVrvL
InChI InChI=1S/C16H22O3/c1-9-4-7-12-13(8-18-3)16(17)19-15(12)14-10(2)5-6-11(9)14/h11-15H,1-2,4-8H2,3H3/t11-,12-,13+,14-,15-/m0/s1
InChIKey ZNXSOKHFOMIGLF-RMEBNNNOSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzM9x11krcH
Name 2,11-Dimethylene-6-methoxymethyl-8-oxatricyclo[8.3.0.0(5,9)]tridecan-7-one isomer
Alternate Name(s) (3S,3aS,6aR,9aR,9bS)-3-Methoxymethyl-6,9-dimethylene-decahydro-azuleno[4,5-b]furan-2-one (3S,3aS,6aR,9aR,9bS)-3-(methoxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-4-7-12-13(8-18-3)16(17)19-15(12)14-10(2)5-6-11(9)14/h11-15H,1-2,4-8H2,3H3/t11-,12-,13+,14-,15-/m0/s1
InChIKey ZNXSOKHFOMIGLF-RMEBNNNOSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]12(OC(=O)[C@@]([C@@]2(CCC([C@]2([C@@]1(C(CC2)=C)[H])[H])=C)[H])(COC)[H])[H]
SPLASH splash10-0a4i-0940000000-ee429bbe39473912d909
Source of Spectrum F-56-7773-14
Wiley ID 858612