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5,8-ETHANO-1-(3,4,5-TRIMETHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
SpectraBase Compound ID BPb62xM4db3
InChI InChI=1S/C21H29NO3/c1-23-18-11-13(12-19(24-2)21(18)25-3)10-17-20-15-6-4-14(5-7-15)16(20)8-9-22-17/h11-12,14-15,17,22H,4-10H2,1-3H3/t14-,15+,17?
InChIKey CFRULDAKANNFSK-FKEKPDDDSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hCYBgUCNSH
Name 5,8-ETHANO-1-(3,4,5-TRIMETHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-23-18-11-13(12-19(24-2)21(18)25-3)10-17-20-15-6-4-14(5-7-15)16(20)8-9-22-17/h11-12,14-15,17,22H,4-10H2,1-3H3/t14-,15+,17?
InChIKey CFRULDAKANNFSK-FKEKPDDDSA-N
Literature Reference Author S.L.SAHA,V.F.ROCHE,K.PENDOLA,M.KEARLEY,L.LEI,K.J.ROMSTEDT,M. HERDMAN,G.SHAMS,V.KA
Literature Reference Citation BIOORG.MED.CHEM.,10,2779(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00101-3
Molecular Weight 343.466 g/mol
Solvent CDCl3
Source File Reference UWSI24358