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RAC-(1R,3AR,8BS)-6,8-DIMETHOXY-1-(1-METHYLETHYL)-2,3,3A,8B-TETRAHYDRO-1H-CYCLOPENTA-[B]-BENZOFURAN-3-ONE
SpectraBase Compound ID B5cDyFOTfeA
InChI InChI=1S/C16H20O4/c1-8(2)10-7-11(17)16-14(10)15-12(19-4)5-9(18-3)6-13(15)20-16/h5-6,8,10,14,16H,7H2,1-4H3/t10-,14+,16+/m1/s1
InChIKey GIHJROCCMISJFW-OOVXXXAESA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrwquHRaKUz
Name (1R,3aR,8bS)-1-isopropyl-6,8-dimethoxy-1,2,3a,8b-tetrahydrocyclopenta[b]benzofuran-3-one
Alternate Name(s) (1R,3aR,8bS)-6,8-dimethoxy-1-propan-2-yl-1,2,3a,8b-tetrahydrocyclopenta[b]benzofuran-3-one (1R,3aR,8bS)-6,8-dimethoxy-1-propan-2-yl-1,2,3a,8b-tetrahydrocyclopenta[b][1]benzofuran-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-8(2)10-7-11(17)16-14(10)15-12(19-4)5-9(18-3)6-13(15)20-16/h5-6,8,10,14,16H,7H2,1-4H3/t10-,14+,16+/m1/s1
InChIKey GIHJROCCMISJFW-OOVXXXAESA-N
Molecular Weight 276.332 g/mol
SMILES [C@]12([C@](c3c(cc(cc3O2)OC)OC)([C@@](C(C)C)(CC1=O)[H])[H])[H]
SPLASH splash10-004i-0920000000-cdb9f1c2a342eea43929
Source of Spectrum F-68-1221-10
Wiley ID 1571816