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5,8-ETHANO-2-FORMYL-1-(PARA-CHLOROBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
SpectraBase Compound ID 6DaSCdbn6VF
InChI InChI=1S/2C19H22ClNO/c2*20-16-7-1-13(2-8-16)11-18-19-15-5-3-14(4-6-15)17(19)9-10-21(18)12-22/h2*1-2,7-8,12,14-15,18H,3-6,9-11H2/t2*14-,15+,18?
InChIKey VHEUDRNPDNKZKV-GJMSGCRYSA-N
Mol Weight 631.69 g/mol
Molecular Formula C38H44Cl2N2O2
Exact Mass 630.277984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yvKRYtbQEX
Name 5,8-ETHANO-2-FORMYL-1-(PARA-CHLOROBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44Cl2N2O2
InChI InChI=1S/2C19H22ClNO/c2*20-16-7-1-13(2-8-16)11-18-19-15-5-3-14(4-6-15)17(19)9-10-21(18)12-22/h2*1-2,7-8,12,14-15,18H,3-6,9-11H2/t2*14-,15+,18?
InChIKey VHEUDRNPDNKZKV-GJMSGCRYSA-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 631.686 g/mol
Solvent CDCl3
Source File Reference UWSI24367