For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(TRANS)-N-(4'-CHLOROBENZYL)-3-(3''-NITROPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-CARBOXYLIC-ACID
SpectraBase Compound ID 87ZVe4y9ssF
InChI InChI=1S/C23H17ClN2O5/c24-16-10-8-14(9-11-16)13-25-21(15-4-3-5-17(12-15)26(30)31)20(23(28)29)18-6-1-2-7-19(18)22(25)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m0/s1
InChIKey WLRWKXWUCAIFBM-LEWJYISDSA-N
Mol Weight 436.85 g/mol
Molecular Formula C23H17ClN2O5
Exact Mass 436.082599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1doj9NwVyA2
Name (TRANS)-N-(4'-CHLOROBENZYL)-3-(3''-NITROPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-4-CARBOXYLIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17ClN2O5
InChI InChI=1S/C23H17ClN2O5/c24-16-10-8-14(9-11-16)13-25-21(15-4-3-5-17(12-15)26(30)31)20(23(28)29)18-6-1-2-7-19(18)22(25)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m0/s1
InChIKey WLRWKXWUCAIFBM-LEWJYISDSA-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 436.851 g/mol
Sample ID 1264
Solvent DMSO-D6