1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazinediium oxalate

SpectraBase Compound ID	5LKfZvsNrRF
InChI	InChI=1S/C24H26N2O3.C2H2O4/c1-27-22-9-7-19(20-4-2-3-5-21(20)22)16-26-12-10-25(11-13-26)15-18-6-8-23-24(14-18)29-17-28-23;3-1(4)2(5)6/h2-9,14H,10-13,15-17H2,1H3;(H,3,4)(H,5,6)
InChIKey	PIKXRTXOJXRPML-UHFFFAOYSA-N Google Search
Mol Weight	480.52 g/mol
Molecular Formula	C26H28N2O7
Exact Mass	480.189651 g/mol

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SpectraBase Spectrum ID	H7QJhwDM1IK
Name	1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazinediium oxalate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C24H26N2O3.C2H2O4/c1-27-22-9-7-19(20-4-2-3-5-21(20)22)16-26-12-10-25(11-13-26)15-18-6-8-23-24(14-18)29-17-28-23;3-1(4)2(5)6/h2-9,14H,10-13,15-17H2,1H3;(H,3,4)(H,5,6)
InChIKey	PIKXRTXOJXRPML-UHFFFAOYSA-N
NMR Offset	18.416
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_17065
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/9030469; UBI_ID: UBI-017068
Temperature	313 °C