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Methyl (-)-3S-6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SpectraBase Compound ID JP4eYo2qusO
InChI InChI=1S/C12H14BrNO4/c1-17-11-8(13)3-6-4-9(12(16)18-2)14-5-7(6)10(11)15/h3,9,14-15H,4-5H2,1-2H3/t9-/m0/s1
InChIKey XQBGNAHXHIIPOB-VIFPVBQESA-N
Mol Weight 316.15 g/mol
Molecular Formula C12H14BrNO4
Exact Mass 315.010621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mUHdFoIffU
Name Methyl(3S) 6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Alternate Name(s) Methyl (3S)-6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Methyl (3S)-6-bromanyl-7-methoxy-8-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
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Formula C12H14BrNO4
InChI InChI=1S/C12H14BrNO4/c1-17-11-8(13)3-6-4-9(12(16)18-2)14-5-7(6)10(11)15/h3,9,14-15H,4-5H2,1-2H3/t9-/m0/s1
InChIKey XQBGNAHXHIIPOB-VIFPVBQESA-N
Molecular Weight 316.151 g/mol
SMILES Oc1c(c(cc2c1CN[C@@](C2)(C(=O)OC)[H])Br)OC
SPLASH splash10-0a4i-0191000000-fba673b6cf41ef79b56f
Source of Spectrum G4-70-341-7
Wiley ID 1694675