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(13S,13aR)-12-fluoranyl-2,3-dimethoxy-13-oxidanyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
SpectraBase Compound ID 4DQ6rjhGj1K
InChI InChI=1S/C19H18FNO4/c1-24-14-8-10-6-7-21-17(12(10)9-15(14)25-2)18(22)16-11(19(21)23)4-3-5-13(16)20/h3-5,8-9,17-18,22H,6-7H2,1-2H3/t17-,18+/m1/s1
InChIKey BTIKUABKCGFDPC-MSOLQXFVSA-N
Mol Weight 343.35 g/mol
Molecular Formula C19H18FNO4
Exact Mass 343.121986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hh8n13QDizD
Name (13S,13aR)-12-fluoranyl-2,3-dimethoxy-13-oxidanyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
Alternate Name(s) (13S,13aR)-12-fluoro-13-hydroxy-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one (13S,13aR)-12-fluoro-13-hydroxy-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinolin-8-one
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Formula C19H18FNO4
InChI InChI=1S/C19H18FNO4/c1-24-14-8-10-6-7-21-17(12(10)9-15(14)25-2)18(22)16-11(19(21)23)4-3-5-13(16)20/h3-5,8-9,17-18,22H,6-7H2,1-2H3/t17-,18+/m1/s1
InChIKey BTIKUABKCGFDPC-MSOLQXFVSA-N
Molecular Weight 343.354 g/mol
SMILES O[C@]1(c2c(F)cccc2C(N2[C@@]1(c1cc(OC)c(cc1CC2)OC)[H])=O)[H]
SPLASH splash10-0006-0901000000-0ecc2f3a8ba3a4868a3e
Source of Spectrum F-54-7493-3
Wiley ID 807485