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(3aR,9aS,9bR)-4-isopropylidene-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione
SpectraBase Compound ID 6rIAYNh9Adl
InChI InChI=1S/C16H20O3/c1-8(2)12-9(3)10-6-4-5-7-11(10)13-14(12)16(18)19-15(13)17/h11,13-14H,4-7H2,1-3H3/t11-,13-,14+/m1/s1
InChIKey FADIPBCZIDCFQT-BNOWGMLFSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjiGaBt4ZWm
Name (3aR,9aS,9bR)-4-isopropylidene-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-8(2)12-9(3)10-6-4-5-7-11(10)13-14(12)16(18)19-15(13)17/h11,13-14H,4-7H2,1-3H3/t11-,13-,14+/m1/s1
InChIKey FADIPBCZIDCFQT-BNOWGMLFSA-N
Molecular Weight 260.333 g/mol
SMILES C1(C(=C2CCCC[C@]2([C@]2(C(=O)OC([C@@]12[H])=O)[H])[H])C)=C(C)C
SPLASH splash10-0239-0970000000-0a008c1795f9adb5e259
Source of Spectrum F-68-7849-16
Synonyms (3aR,9aS,9bR)-4-isopropylidene-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benz[e]isobenzofuran-1,3-quinone (3aR,9aS,9bR)-5-methyl-4-propan-2-ylidene-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione (3aR,9aS,9bR)-5-methyl-4-propan-2-ylidene-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3-dione
Wiley ID 1573504