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1-(3,4-Dimethoxybenzyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazinediium oxalate

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1-(3,4-Dimethoxybenzyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazinediium oxalate
SpectraBase Compound ID DyW66sNnILN
InChI InChI=1S/C25H30N2O3.C2H2O4/c1-28-23-11-9-20(21-6-4-5-7-22(21)23)18-27-14-12-26(13-15-27)17-19-8-10-24(29-2)25(16-19)30-3;3-1(4)2(5)6/h4-11,16H,12-15,17-18H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AZPLTFHIZBFPOA-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C27H32N2O7
Exact Mass 496.220951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2b0nXrb2DPZ
Name 1-(3,4-Dimethoxybenzyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazinediium oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.220951371 u
Formula C27H32N2O7
InChI InChI=1S/C25H30N2O3.C2H2O4/c1-28-23-11-9-20(21-6-4-5-7-22(21)23)18-27-14-12-26(13-15-27)17-19-8-10-24(29-2)25(16-19)30-3;3-1(4)2(5)6/h4-11,16H,12-15,17-18H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AZPLTFHIZBFPOA-UHFFFAOYSA-N
Molecular Weight 496.560 g/mol
SMILES C([O-])(=O)C([O-])=O.C1(=C2C(C=CC=C2)=C(C=C1)OC)C[NH+]1CC[NH+](CC1)CC=1C=C(OC)C(=CC1)OC