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(TRANS)-METHYL-N-(4'-CHLOROBENZYL)-3-(4''-METHOXYPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-CARBOXYLATE
SpectraBase Compound ID CmLhwRg2SMr
InChI InChI=1S/C25H22ClNO4/c1-30-19-13-9-17(10-14-19)23-22(25(29)31-2)20-5-3-4-6-21(20)24(28)27(23)15-16-7-11-18(26)12-8-16/h3-14,22-23H,15H2,1-2H3/t22-,23+/m0/s1
InChIKey BMWZRLOMQMQKDL-XZOQPEGZSA-N
Mol Weight 435.91 g/mol
Molecular Formula C25H22ClNO4
Exact Mass 435.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nx15RIhfVJ
Name (TRANS)-METHYL-N-(4'-CHLOROBENZYL)-3-(4''-METHOXYPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-CARBOXYLATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22ClNO4
InChI InChI=1S/C25H22ClNO4/c1-30-19-13-9-17(10-14-19)23-22(25(29)31-2)20-5-3-4-6-21(20)24(28)27(23)15-16-7-11-18(26)12-8-16/h3-14,22-23H,15H2,1-2H3/t22-,23+/m0/s1
InChIKey BMWZRLOMQMQKDL-XZOQPEGZSA-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 435.907 g/mol
Sample ID 1266
Solvent CDCl3