1-(2,5-dimethoxybenzyl)-4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazinediium oxalate

SpectraBase Compound ID	1c4aBzYZH8J
InChI	InChI=1S/C28H33N3O2.C2H2O4/c1-4-31-26-8-6-5-7-24(26)25-17-21(9-11-27(25)31)19-29-13-15-30(16-14-29)20-22-18-23(32-2)10-12-28(22)33-3;3-1(4)2(5)6/h5-12,17-18H,4,13-16,19-20H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	VKHHPCLYLKWWIH-UHFFFAOYSA-N Google Search
Mol Weight	533.6 g/mol
Molecular Formula	C30H35N3O6
Exact Mass	533.252586 g/mol

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SpectraBase Spectrum ID	FAKjZN0rIjB
Name	1-(2,5-dimethoxybenzyl)-4-[(9-ethyl-9H-carbazol-3-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/C28H33N3O2.C2H2O4/c1-4-31-26-8-6-5-7-24(26)25-17-21(9-11-27(25)31)19-29-13-15-30(16-14-29)20-22-18-23(32-2)10-12-28(22)33-3;3-1(4)2(5)6/h5-12,17-18H,4,13-16,19-20H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	VKHHPCLYLKWWIH-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13045
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/9031125; UBI_ID: UBI-013048
Temperature	318 °C