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[(1S,11bR)-9,10-dimethoxy-1,2,4,6,7,11b-hexahydro-[1,3]oxazino[4,3-a]isoquinolin-1-yl]methyl benzoate
SpectraBase Compound ID EA0tnYqq5SG
InChI InChI=1S/C22H25NO5/c1-25-19-10-16-8-9-23-14-27-12-17(21(23)18(16)11-20(19)26-2)13-28-22(24)15-6-4-3-5-7-15/h3-7,10-11,17,21H,8-9,12-14H2,1-2H3/t17-,21+/m0/s1
InChIKey XKWKUYPUNZEJMB-LAUBAEHRSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SWYvwtiLPC
Name [(1S,11bR)-9,10-dimethoxy-1,2,4,6,7,11b-hexahydro-[1,3]oxazino[4,3-a]isoquinolin-1-yl]methyl benzoate
CAS Registry Number 124482-15-1
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-25-19-10-16-8-9-23-14-27-12-17(21(23)18(16)11-20(19)26-2)13-28-22(24)15-6-4-3-5-7-15/h3-7,10-11,17,21H,8-9,12-14H2,1-2H3/t17-,21+/m0/s1
InChIKey XKWKUYPUNZEJMB-LAUBAEHRSA-N
Literature Reference Author F.FUELOEP,G.BERNATH,M.S.EL-GHARIB,J.KOBOR,P.SOHAR,I.PELCZER, G.ARGAY,A.KALMAN
Literature Reference Citation CHEM.BER.,123,803(1990)
Literature Reference DOI 10.1002/cber.19901230427
Molecular Weight 383.444 g/mol
Solvent CDCl3
Source File Reference UWED12281