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3-benzyl-1-[4-(trifluoromethyl)benzyl]-3H-benzimidazol-1-ium bromide
SpectraBase Compound ID kW2tnVewU
InChI InChI=1S/C22H18F3N2.BrH/c23-22(24,25)19-12-10-18(11-13-19)15-27-16-26(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)27;/h1-13,16H,14-15H2;1H/q+1;/p-1
InChIKey MWICULDXJDBCCF-UHFFFAOYSA-M
Mol Weight 447.3 g/mol
Molecular Formula C22H18BrF3N2
Exact Mass 446.060546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eOM3u532ko
Name 3-benzyl-1-[4-(trifluoromethyl)benzyl]-3H-benzimidazol-1-ium bromide
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/C22H18F3N2.BrH/c23-22(24,25)19-12-10-18(11-13-19)15-27-16-26(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)27;/h1-13,16H,14-15H2;1H/q+1;/p-1
InChIKey MWICULDXJDBCCF-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17058
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: 987/00004865; Labnumber: 987/00004865218859; VK_ID: VK-017063
Temperature 318 °C