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(3aR,4aS,5S,5aR,6aR)-5-(3-ketobutyl)-5a-methyl-3a,4,4a,5,6,6a-hexahydro-3H-cyclopropa[f]benzofuran-2-one
SpectraBase Compound ID BMLODi2Jor9
InChI InChI=1S/C14H20O3/c1-8(15)3-4-10-11-5-9-6-13(16)17-12(9)7-14(10,11)2/h9-12H,3-7H2,1-2H3/t9-,10+,11+,12-,14-/m1/s1
InChIKey LIJDYZGUNKMLPB-OIRVYTLQSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTqYtgIUboo
Name (3aR,4aS,5S,5aR,6aR)-5-(3-ketobutyl)-5a-methyl-3a,4,4a,5,6,6a-hexahydro-3H-cyclopropa[f]benzofuran-2-one
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8(15)3-4-10-11-5-9-6-13(16)17-12(9)7-14(10,11)2/h9-12H,3-7H2,1-2H3/t9-,10+,11+,12-,14-/m1/s1
InChIKey LIJDYZGUNKMLPB-OIRVYTLQSA-N
Molecular Weight 236.311 g/mol
SMILES [C@@]12([C@](C[C@]3([C@@](C2)(OC(=O)C3)[H])[H])([H])[C@@]1(CCC(=O)C)[H])C
SPLASH splash10-05po-9300000000-932b7d0fcebda99d579e
Source of Spectrum J-60-4195-6
Synonyms (3aR,4aS,5S,5aR,6aR)-5a-methyl-5-(3-oxidanylidenebutyl)-3a,4,4a,5,6,6a-hexahydro-3H-cyclopropa[f][1]benzofuran-2-one (3aR,4aS,5S,5aR,6aR)-5a-methyl-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydro-3H-cyclopropa[f]benzofuran-2-one (3aR,4aS,5S,5aR,6aR)-5a-methyl-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydro-3H-cyclopropa[f][1]benzofuran-2-one
Wiley ID 1238459