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1,5-Dimethylbicyclo[4.4.0]deca-3-en-2,7-dione isomer
SpectraBase Compound ID DS873AKM5GE
InChI InChI=1S/C12H16O2/c1-8-5-6-10(14)12(2)7-3-4-9(13)11(8)12/h5-6,8,11H,3-4,7H2,1-2H3/t8-,11-,12-/m1/s1
InChIKey VHIQAUGFYDMLHO-GGZOMVNGSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7x8YaOF3k0
Name 1,5-Dimethylbicyclo[4.4.0]deca-3-en-2,7-dione isomer
Alternate Name(s) (4aS,8R,8aS)-4a,8-Dimethyl-2,3,4,4a,8,8a-hexahydro-naphthalene-1,5-dione (4aS,8R,8aS)-4a,8-dimethyl-3,4,8,8a-tetrahydro-2H-naphthalene-1,5-dione
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8-5-6-10(14)12(2)7-3-4-9(13)11(8)12/h5-6,8,11H,3-4,7H2,1-2H3/t8-,11-,12-/m1/s1
InChIKey VHIQAUGFYDMLHO-GGZOMVNGSA-N
Molecular Weight 192.258 g/mol
SMILES [C@@]12([C@@](C(=O)CCC2)([C@](C)(C=CC1=O)[H])[H])C
SPLASH splash10-001i-9400000000-ac2826dee55dddaa304e
Source of Spectrum F-55-7004-7
Wiley ID 838162