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(3S,3aR,8aS)-2,2-Dimethyl-3-hydroxy-2,3,3a,6,7,8a-hexahydro-5H-1,8-dioxacyclopent[a]indene-4-one
SpectraBase Compound ID 2LCoJw5k70E
InChI InChI=1S/C12H16O4/c1-12(2)10(14)9-8-6(13)4-3-5-7(8)15-11(9)16-12/h9-11,14H,3-5H2,1-2H3/t9-,10+,11+/m1/s1
InChIKey HDYDXDOMWJRTCU-VWYCJHECSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lDTLmWYiDV
Name (3S,3aR,8aS)-2,2-Dimethyl-3-hydroxy-2,3,3a,6,7,8a-hexahydro-5H-1,8-dioxacyclopent[a]indene-4-one
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2)10(14)9-8-6(13)4-3-5-7(8)15-11(9)16-12/h9-11,14H,3-5H2,1-2H3/t9-,10+,11+/m1/s1
InChIKey HDYDXDOMWJRTCU-VWYCJHECSA-N
Molecular Weight 224.256 g/mol
SMILES O[C@@]1(C(C)(C)O[C@]2([C@@]1(C1=C(CCCC1=O)O2)[H])[H])[H]
SPLASH splash10-000i-1930000000-e7c637ebe81e08dd0bb4
Source of Spectrum C-117-4817-4
Synonyms (3S*,3aR*,8aR*)-2,2-Dimethyl-3-hydroxy-2,3,3a,6,7,8a-hexahydro-5H-1,8-dioxacyclopent[a]indene-4-one (3S,3aR,8aS)-3-hydroxy-2,2-dimethyl-2,3,3a,6,7,8a-hexahydrofuro[2,3-b][1]benzofuran-4(5H)-one
Wiley ID 758862