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METHYL-(3S*,4S*)-4-(BENZOYLOXY)-3-[6,7-DIMETHOXY-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-PIPERIDINECARBOXYLATE
SpectraBase Compound ID BCMi9PF7ByM
InChI InChI=1S/C25H30N2O6/c1-30-22-13-18-9-11-26(15-19(18)14-23(22)31-2)20-16-27(25(29)32-3)12-10-21(20)33-24(28)17-7-5-4-6-8-17/h4-8,13-14,20-21H,9-12,15-16H2,1-3H3/t20-,21-/m0/s1
InChIKey KJFYCBTYNNJAET-SFTDATJTSA-N
Mol Weight 454.52 g/mol
Molecular Formula C25H30N2O6
Exact Mass 454.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Dnu5RWfRM
Name Methyl 4-(benzoyloxy)-3-[6',7'-dimethoxy-3',4'-dihydro-2'(1H0-isoquinolinyl]-piperidine-1-carboxylate
Alternate Name(s) (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinecarboxylic acid methyl ester Methyl (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylate Methyl (3S,4S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylcarbonyloxy)piperidine-1-carboxylate
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Formula C25H30N2O6
InChI InChI=1S/C25H30N2O6/c1-30-22-13-18-9-11-26(15-19(18)14-23(22)31-2)20-16-27(25(29)32-3)12-10-21(20)33-24(28)17-7-5-4-6-8-17/h4-8,13-14,20-21H,9-12,15-16H2,1-3H3/t20-,21-/m0/s1
InChIKey KJFYCBTYNNJAET-SFTDATJTSA-N
Molecular Weight 454.523 g/mol
SMILES [C@@]1(N2Cc3cc(OC)c(cc3CC2)OC)(CN(C(=O)OC)CC[C@@]1(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0006-0900000000-7bc4f8334d1556ad53ce
Source of Spectrum H-2005-680-42
Wiley ID 1562290