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2-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)-2-hydroxy-1H,2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-4-ium bromide
SpectraBase Compound ID a88YvBmCUO
InChI InChI=1S/C22H26BrN2O3.BrH/c1-27-18-11-12-19(20(14-18)28-2)25-21-6-4-3-5-13-24(21)15-22(25,26)16-7-9-17(23)10-8-16;/h7-12,14,26H,3-6,13,15H2,1-2H3;1H/q+1;/p-1
InChIKey TVMHIKRZXGHKRW-UHFFFAOYSA-M
Mol Weight 526.27 g/mol
Molecular Formula C22H26Br2N2O3
Exact Mass 524.031019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Af1DxNa5DKT
Name 2-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)-2-hydroxy-1H,2H,3H,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/C22H26BrN2O3.BrH/c1-27-18-11-12-19(20(14-18)28-2)25-21-6-4-3-5-13-24(21)15-22(25,26)16-7-9-17(23)10-8-16;/h7-12,14,26H,3-6,13,15H2,1-2H3;1H/q+1;/p-1
InChIKey TVMHIKRZXGHKRW-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16575
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: 987/00004074; Labnumber: 987/00004074218849; VK_ID: VK-016580
Temperature 318 °C