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O-Demethylrenierol acetate
SpectraBase Compound ID 7GtyjN1qRAa
InChI InChI=1S/C13H11NO5/c1-6-11(16)8-3-4-14-9(5-19-7(2)15)10(8)13(18)12(6)17/h3-4,17H,5H2,1-2H3
InChIKey FCVLIMJMXLPMSE-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C13H11NO5
Exact Mass 261.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMgpFcZOFu9
Name O-Demethylrenierol acetate
Alternate Name(s) 1-(Acetoxymethyl)-5-hydroxy-7-methoxy-5,8-dihydroisoquinolin-5,8-dione (7-hydroxy-6-methyl-5,8-dioxo-5,8-dihydro-1-isoquinolinyl)methyl acetate
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Formula C13H11NO5
InChI InChI=1S/C13H11NO5/c1-6-11(16)8-3-4-14-9(5-19-7(2)15)10(8)13(18)12(6)17/h3-4,17H,5H2,1-2H3
InChIKey FCVLIMJMXLPMSE-UHFFFAOYSA-N
Molecular Weight 261.233 g/mol
SMILES OC=1C(=O)c2c(C(C1C)=O)ccnc2COC(=O)C
SPLASH splash10-0006-7960000000-593493965bade0192d13
Source of Spectrum Y1-32-704-1
Wiley ID 1526107