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6-methoxy-8-[[(1S)-6-methoxy-1-[4-(2-methoxy-5-methylol-phenoxy)benzyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-isoquinolin-2-ium-7-ol

View entire compound with spectra: 1 NMR

6-methoxy-8-[[(1S)-6-methoxy-1-[4-(2-methoxy-5-methylol-phenoxy)benzyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-isoquinolin-2-ium-7-ol
SpectraBase Compound ID BLa58JtZUqg
InChI InChI=1S/C37H38N2O7/c1-38-14-12-26-19-35(44-5)36(41)37(29(26)21-38)46-34-20-28-25(18-32(34)43-4)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-33-17-24(22-40)8-11-31(33)42-3/h6-12,14,17-21,30,40H,13,15-16,22H2,1-5H3/p+1/t30-/m0/s1
InChIKey UAVZCUQPBFEPKC-PMERELPUSA-O
Mol Weight 623.7 g/mol
Molecular Formula C37H39N2O7
Exact Mass 623.275727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gwji8FVzUbS
Name 6-methoxy-8-[[(1S)-6-methoxy-1-[4-(2-methoxy-5-methylol-phenoxy)benzyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-isoquinolin-2-ium-7-ol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H39N2O7
InChI InChI=1S/C37H38N2O7/c1-38-14-12-26-19-35(44-5)36(41)37(29(26)21-38)46-34-20-28-25(18-32(34)43-4)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-33-17-24(22-40)8-11-31(33)42-3/h6-12,14,17-21,30,40H,13,15-16,22H2,1-5H3/p+1/t30-/m0/s1
InChIKey UAVZCUQPBFEPKC-PMERELPUSA-O
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 623.726 g/mol
Source File Reference MHKO15933