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3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-4-ium bromide
SpectraBase Compound ID HyQw0wfJNA1
InChI InChI=1S/C23H24F3N2O.BrH/c1-2-29-20-12-10-17(11-13-20)21-16-28(22-9-4-3-5-14-27(21)22)19-8-6-7-18(15-19)23(24,25)26;/h6-8,10-13,15-16H,2-5,9,14H2,1H3;1H/q+1;/p-1
InChIKey SXHYJTVUCQYMCM-UHFFFAOYSA-M
Mol Weight 481.36 g/mol
Molecular Formula C23H24BrF3N2O
Exact Mass 480.102411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXqXTGNCCqL
Name 3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-4-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/C23H24F3N2O.BrH/c1-2-29-20-12-10-17(11-13-20)21-16-28(22-9-4-3-5-14-27(21)22)19-8-6-7-18(15-19)23(24,25)26;/h6-8,10-13,15-16H,2-5,9,14H2,1H3;1H/q+1;/p-1
InChIKey SXHYJTVUCQYMCM-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15231
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: 987/00001571; Labnumber: 987/00001571218818; VK_ID: VK-015236
Temperature 318 °C