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3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-3H-benzimidazol-1-ium bromide
SpectraBase Compound ID D32ssovxbf
InChI InChI=1S/C18H17F2N2O2.BrH/c1-12-21(11-16(23)13-7-3-6-10-17(13)24-2)14-8-4-5-9-15(14)22(12)18(19)20;/h3-10,18H,11H2,1-2H3;1H/q+1;/p-1
InChIKey UZEGMUFKVCJOCN-UHFFFAOYSA-M
Mol Weight 411.25 g/mol
Molecular Formula C18H17BrF2N2O2
Exact Mass 410.044147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 69VqFb4wjD
Name 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-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/C18H17F2N2O2.BrH/c1-12-21(11-16(23)13-7-3-6-10-17(13)24-2)14-8-4-5-9-15(14)22(12)18(19)20;/h3-10,18H,11H2,1-2H3;1H/q+1;/p-1
InChIKey UZEGMUFKVCJOCN-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17562
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: 987/00005786; Labnumber: 987/00005786218871; VK_ID: VK-017567
Temperature 318 °C