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

*Links on SpectraBase are not permalinks.

1-(4-Chlorobenzyl)-4-(3-methoxybenzyl)piperazinediium oxalate

View entire compound with spectra: 2 NMR

1-(4-Chlorobenzyl)-4-(3-methoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID JZ3EB0fDwdZ
InChI InChI=1S/C19H23ClN2O.C2H2O4/c1-23-19-4-2-3-17(13-19)15-22-11-9-21(10-12-22)14-16-5-7-18(20)8-6-16;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey MCOORLYDZMRKRU-UHFFFAOYSA-N
Mol Weight 420.89 g/mol
Molecular Formula C21H25ClN2O5
Exact Mass 420.1452 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 3uYBY8rHdxF
Name 1-(4-Chlorobenzyl)-4-(3-methoxybenzyl)piperazinediium oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.145199608 u
Formula C21H25ClN2O5
InChI InChI=1S/C19H23ClN2O.C2H2O4/c1-23-19-4-2-3-17(13-19)15-22-11-9-21(10-12-22)14-16-5-7-18(20)8-6-16;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey MCOORLYDZMRKRU-UHFFFAOYSA-N
Molecular Weight 420.893 g/mol
SMILES C([O-])(=O)C([O-])=O.COC1=CC(C[NH+]2CC[NH+](CC2)CC2=CC=C(Cl)C=C2)=CC=C1