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1-{2-[2-(2,3-dimethyl-3H-benzimidazol-1-ium-1-yl)ethoxy]ethyl}-2,3-dimethyl-3H-benzimidazol-1-ium bis(4-methylbenzenesulfonate)
SpectraBase Compound ID KGsNrAW9Iap
InChI InChI=1S/C22H28N4O.2C7H8O3S/c1-17-23(3)19-9-5-7-11-21(19)25(17)13-15-27-16-14-26-18(2)24(4)20-10-6-8-12-22(20)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,13-16H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey IPTDQRDQPIHWAI-UHFFFAOYSA-L
Mol Weight 706.87 g/mol
Molecular Formula C36H42N4O7S2
Exact Mass 706.249492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 91PzqzAD0XN
Name 1-{2-[2-(2,3-dimethyl-3H-benzimidazol-1-ium-1-yl)ethoxy]ethyl}-2,3-dimethyl-3H-benzimidazol-1-ium bis(4-methylbenzenesulfonate)
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/C22H28N4O.2C7H8O3S/c1-17-23(3)19-9-5-7-11-21(19)25(17)13-15-27-16-14-26-18(2)24(4)20-10-6-8-12-22(20)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,13-16H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey IPTDQRDQPIHWAI-UHFFFAOYSA-L
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16457
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: 987/00003889; Labnumber: 987/00003889218847; VK_ID: VK-016462
Temperature 318 °C