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ETHYL-RAC-(3AR,8BS)-3-HYDROXY-6,8-DIMETHOXY-3A,8B-DIHYDRO-1H-CYCLOPENTA-[B]-BENZOFURAN-2-CARBOXYLATE
SpectraBase Compound ID Fed6omTNEPG
InChI InChI=1S/C16H18O6/c1-4-21-16(18)10-7-9-13-11(20-3)5-8(19-2)6-12(13)22-15(9)14(10)17/h5-6,9,15,17H,4,7H2,1-3H3/t9-,15+/m0/s1
InChIKey JQSFPVLSHXJMFR-BJOHPYRUSA-N
Mol Weight 306.31 g/mol
Molecular Formula C16H18O6
Exact Mass 306.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xK7FLN60jM
Name ethyl (3aR,8bS)-3-hydroxy-6,8-dimethoxy-3a,8b-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Alternate Name(s) ethyl (3aR,8bS)-3-hydroxy-6,8-dimethoxy-3a,8b-dihydro-1H-cyclopenta[b]benzofuran-2-carboxylate ethyl (3aR,8bS)-6,8-dimethoxy-3-oxidanyl-3a,8b-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H18O6
InChI InChI=1S/C16H18O6/c1-4-21-16(18)10-7-9-13-11(20-3)5-8(19-2)6-12(13)22-15(9)14(10)17/h5-6,9,15,17H,4,7H2,1-3H3/t9-,15+/m0/s1
InChIKey JQSFPVLSHXJMFR-BJOHPYRUSA-N
Molecular Weight 306.314 g/mol
SMILES OC=1[C@@]2(Oc3c([C@@]2(CC1C(=O)OCC)[H])c(cc(OC)c3)OC)[H]
SPLASH splash10-03di-0093000000-b1250f045258385d6fa6
Source of Spectrum F-68-1220-5
Wiley ID 1571819