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(+/-)-(2AR,3S,8AS,8BS)-7,7-DIMETHYL-2-OXO-2A,3,4,6,7,8,8A,8B-OCTAHYDRO-2H-BENZO-[CD]-ISOBENZOFURAN-3-CARBOXYLIC-ACID
SpectraBase Compound ID LYenDNBMvWH
InChI InChI=1S/C14H18O4/c1-14(2)5-7-3-4-8(12(15)16)11-10(7)9(6-14)18-13(11)17/h3,8-11H,4-6H2,1-2H3,(H,15,16)/t8-,9-,10-,11-/m0/s1
InChIKey MEFHOHVQBDSOPL-NAKRPEOUSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4o5I4CpafQQ
Name (2aR,3s,8aS,8bS)-7,7-Dimethyl-2-oxo-2a,3,4,6,7,8,8a,8b-octahydro-2H-benzo[cd]isobenzofuran-3-carboxylic acid
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2)5-7-3-4-8(12(15)16)11-10(7)9(6-14)18-13(11)17/h3,8-11H,4-6H2,1-2H3,(H,15,16)/t8-,9-,10-,11-/m0/s1
InChIKey MEFHOHVQBDSOPL-NAKRPEOUSA-N
Molecular Weight 250.294 g/mol
SMILES OC([C@@]1([C@@]2(C(O[C@]3(CC(C)(C)CC([C@]23[H])=CC1)[H])=O)[H])[H])=O
SPLASH splash10-0pbc-9780000000-4f7f495f8ead36f38148
Source of Spectrum B-53-408-7
Synonyms (2aR,3S,8aS,8bS)-7,7-dimethyl-2-oxo-2a,3,4,6,7,8,8a,8b-octahydro-2H-naphtho[1,8-bc]furan-3-carboxylic acid (2aR,3s,8aS,8bS)-7,7-Dimethyl-2-oxo-2a,3,4,6,7,8,8a-octahydro-2H-benzo[cd]isobenzofuran-3-carboxylic acid
Wiley ID 747024