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

*Links on SpectraBase are not permalinks.

1-(4-Bromobenzyl)-4-(2-methoxybenzyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(4-Bromobenzyl)-4-(2-methoxybenzyl)piperazine oxalate
SpectraBase Compound ID 9hW85dCc2zD
InChI InChI=1S/C19H23BrN2O.C2H2O4/c1-23-19-5-3-2-4-17(19)15-22-12-10-21(11-13-22)14-16-6-8-18(20)9-7-16;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKey RGBIPHNQXGHERC-UHFFFAOYSA-N
Mol Weight 465.34 g/mol
Molecular Formula C21H25BrN2O5
Exact Mass 464.094685 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 1LCa5nBA2bN
Name 1-(4-Bromobenzyl)-4-(2-methoxybenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.094684908 u
Formula C21H25BrN2O5
InChI InChI=1S/C19H23BrN2O.C2H2O4/c1-23-19-5-3-2-4-17(19)15-22-12-10-21(11-13-22)14-16-6-8-18(20)9-7-16;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKey RGBIPHNQXGHERC-UHFFFAOYSA-N
Molecular Weight 465.344 g/mol
SMILES OC(C(O)=O)=O.C1=CC=C(CN2CCN(CC2)CC=2C=CC(Br)=CC2)C(OC)=C1