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(+-)-(4aS,9aS)-5-Benzyloxy-2-methyl-3,4,4a,9a-tetrahydro-3,9-fluorenedione
SpectraBase Compound ID 77fl758pYco
InChI InChI=1S/C21H18O3/c1-13-10-17-16(11-18(13)22)20-15(21(17)23)8-5-9-19(20)24-12-14-6-3-2-4-7-14/h2-10,16-17H,11-12H2,1H3/t16-,17-/m0/s1
InChIKey LVPANXHNOSIRPO-IRXDYDNUSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zxV9d58cfy
Name (+-)-(4aS,9aS)-5-Benzyloxy-2-methyl-3,4,4a,9a-tetrahydro-3,9-fluorenedione
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-13-10-17-16(11-18(13)22)20-15(21(17)23)8-5-9-19(20)24-12-14-6-3-2-4-7-14/h2-10,16-17H,11-12H2,1H3/t16-,17-/m0/s1
InChIKey LVPANXHNOSIRPO-IRXDYDNUSA-N
Molecular Weight 318.372 g/mol
SMILES C1([C@]2(C=C(C(C[C@@]2(c2c(cccc12)OCc1ccccc1)[H])=O)C)[H])=O
SPLASH splash10-014l-6009000000-1d470a1f4dfc23e85fc3
Source of Spectrum KC-57-2724-17
Synonyms (4aS,9aS)-5-(benzyloxy)-2-methyl-4a,9a-dihydro-3H-fluorene-3,9(4H)-dione
Wiley ID 1623618