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1-(3-(2-(4-bromophenyl)-1H-benzo[d]imidazo[1,2-a]imidazol-9-ium-1-yl)propyl)-4-(2-hydroxyethyl)piperazine-1,4-diium chloride

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1-(3-(2-(4-bromophenyl)-1H-benzo[d]imidazo[1,2-a]imidazol-9-ium-1-yl)propyl)-4-(2-hydroxyethyl)piperazine-1,4-diium chloride
SpectraBase Compound ID JcpvjDovUbs
InChI InChI=1S/C24H29BrN5O.3ClH/c25-20-8-6-19(7-9-20)23-18-30-22-5-2-1-4-21(22)26-24(30)29(23)11-3-10-27-12-14-28(15-13-27)16-17-31;;;/h1-2,4-9,18,26,31H,3,10-17H2;3*1H/q+1;;;/p-1
InChIKey GHAIAMWURBHROJ-UHFFFAOYSA-M
Mol Weight 591.81 g/mol
Molecular Formula C24H31BrCl3N5O
Exact Mass 589.077757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4WG7NqZdCte
Name 1-(3-(2-(4-bromophenyl)-1H-benzo[d]imidazo[1,2-a]imidazol-9-ium-1-yl)propyl)-4-(2-hydroxyethyl)piperazine-1,4-diium chloride
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/C24H29BrN5O.3ClH/c25-20-8-6-19(7-9-20)23-18-30-22-5-2-1-4-21(22)26-24(30)29(23)11-3-10-27-12-14-28(15-13-27)16-17-31;;;/h1-2,4-9,18,26,31H,3,10-17H2;3*1H/q+1;;;/p-1
InChIKey GHAIAMWURBHROJ-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13940
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: 200414; Labnumber: RRVA-737; VK_ID: VK-013945
Temperature 308 °C