1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazinediium oxalate

SpectraBase Compound ID	8ZppM9s9JXC
InChI	InChI=1S/C13H18N2O3.C2H2O4/c1-16-11-6-10(7-12-13(11)18-9-17-12)8-15-4-2-14-3-5-15;3-1(4)2(5)6/h6-7,14H,2-5,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKey	DUMLQNBYXCAKAX-UHFFFAOYSA-N Google Search
Mol Weight	340.33 g/mol
Molecular Formula	C15H20N2O7
Exact Mass	340.127051 g/mol

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SpectraBase Spectrum ID	6IeomLW5uHO
Name	1-[(7-methoxy-1,3-benzodioxol-5-yl)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/C13H18N2O3.C2H2O4/c1-16-11-6-10(7-12-13(11)18-9-17-12)8-15-4-2-14-3-5-15;3-1(4)2(5)6/h6-7,14H,2-5,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKey	DUMLQNBYXCAKAX-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8429
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/9030365; UBI_ID: UBI-008432
Temperature	308 °C