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1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2,4,5-trimethoxybenzyl)piperazinediium
SpectraBase Compound ID IPczJzNk87W
InChI InChI=1S/C20H29N3O3/c1-21-7-5-6-17(21)15-23-10-8-22(9-11-23)14-16-12-19(25-3)20(26-4)13-18(16)24-2/h5-7,12-13H,8-11,14-15H2,1-4H3/p+2
InChIKey KLPSMOKOHXTYIZ-UHFFFAOYSA-P
Mol Weight 361.49 g/mol
Molecular Formula C20H31N3O3
Exact Mass 361.236542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L9fUWAPjiAl
Name 1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2,4,5-trimethoxybenzyl)piperazinediium
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/C20H29N3O3/c1-21-7-5-6-17(21)15-23-10-8-22(9-11-23)14-16-12-19(25-3)20(26-4)13-18(16)24-2/h5-7,12-13H,8-11,14-15H2,1-4H3/p+2
InChIKey KLPSMOKOHXTYIZ-UHFFFAOYSA-P
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13618
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/9310902; UBI_ID: UBI-013621
Temperature 308 °C