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Ethyl rac-(3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydro-3H-cyclopenta[b]benzofuran-2-carboxylate
SpectraBase Compound ID CraUHj9bfJ0
InChI InChI=1S/C16H16O6/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/h5-7,9,15H,4H2,1-3H3/t9-,15+/m0/s1
InChIKey FLLODQXISMKHIQ-BJOHPYRUSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lnvh7IX9PgN
Name Ethyl rac-(3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydro-3H-cyclopenta[b]benzofuran-2-carboxylate
Alternate Name(s) ethyl (3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-2-carboxylate (3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydrocyclopenta[b]benzofuran-2-carboxylic acid ethyl ester ethyl (3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydrocyclopenta[b][1]benzofuran-2-carboxylate ethyl (3aR,8bS)-6,8-dimethoxy-3-oxo-3a,8b-dihydrocyclopenta[b]benzofuran-2-carboxylate ethyl (3aR,8bS)-6,8-dimethoxy-3-oxidanylidene-3a,8b-dihydrocyclopenta[b][1]benzofuran-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H16O6
InChI InChI=1S/C16H16O6/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/h5-7,9,15H,4H2,1-3H3/t9-,15+/m0/s1
InChIKey FLLODQXISMKHIQ-BJOHPYRUSA-N
Molecular Weight 304.298 g/mol
SMILES C=1(C([C@@]2(Oc3c([C@@]2(C1)[H])c(cc(OC)c3)OC)[H])=O)C(=O)OCC
SPLASH splash10-0fb9-0908000000-41e880a95a0761676f5a
Source of Spectrum F-68-1220-9
Wiley ID 1571818