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1-(3,4-Dimethoxybenzyl)-4-(2-methoxybenzyl)piperazinediium oxalate

View entire compound with spectra: 2 NMR

1-(3,4-Dimethoxybenzyl)-4-(2-methoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID KV7ayx9BT2q
InChI InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-5-4-6-18(19)16-23-12-10-22(11-13-23)15-17-8-9-20(25-2)21(14-17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey KIKKUPJYCJYURB-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C23H30N2O7
Exact Mass 446.205301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRZMLMBapvB
Name 1-(3,4-Dimethoxybenzyl)-4-(2-methoxybenzyl)piperazinediium oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.205301307 u
Formula C23H30N2O7
InChI InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-5-4-6-18(19)16-23-12-10-22(11-13-23)15-17-8-9-20(25-2)21(14-17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey KIKKUPJYCJYURB-UHFFFAOYSA-N
Molecular Weight 446.500 g/mol
SMILES C([O-])(=O)C([O-])=O.C1=CC=C(C[NH+]2CC[NH+](CC2)CC=2C=C(OC)C(=CC2)OC)C(OC)=C1