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(TRANS)-N-(4'-CHLOROBENZYL)-3-(4''-METHOXYPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-PROPYL-CARBOXAMIDE
SpectraBase Compound ID RiuQIyHo9P
InChI InChI=1S/C27H27ClN2O3/c1-3-16-29-26(31)24-22-6-4-5-7-23(22)27(32)30(17-18-8-12-20(28)13-9-18)25(24)19-10-14-21(33-2)15-11-19/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,31)/t24-,25+/m0/s1
InChIKey WMIVWPNFINMLQB-LOSJGSFVSA-N
Mol Weight 462.98 g/mol
Molecular Formula C27H27ClN2O3
Exact Mass 462.17102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TREUKh1cb2
Name (TRANS)-N-(4'-CHLOROBENZYL)-3-(4''-METHOXYPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-PROPYL-CARBOXAMIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27ClN2O3
InChI InChI=1S/C27H27ClN2O3/c1-3-16-29-26(31)24-22-6-4-5-7-23(22)27(32)30(17-18-8-12-20(28)13-9-18)25(24)19-10-14-21(33-2)15-11-19/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,31)/t24-,25+/m0/s1
InChIKey WMIVWPNFINMLQB-LOSJGSFVSA-N
Literature Reference Author R.GITTO,E.FRANCICA,G.D.SARRO,F.SCICCHITANO,A.CHIMIRRI
Literature Reference Citation CHEM.PHARM.BULL.,56,181(2008)
Literature Reference DOI 10.1248/cpb.56.181
Molecular Weight 462.976 g/mol
Sample ID 1267
Solvent CDCl3