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3-(4-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID 3TMYI9mPZM5
InChI InChI=1S/C21H20ClF2N2O.BrH/c22-16-7-5-15(6-8-16)19-14-26(20-4-2-1-3-13-25(19)20)17-9-11-18(12-10-17)27-21(23)24;/h5-12,14,21H,1-4,13H2;1H/q+1;/p-1
InChIKey FTKGWICXVGBKSU-UHFFFAOYSA-M
Mol Weight 469.76 g/mol
Molecular Formula C21H20BrClF2N2O
Exact Mass 468.04156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 67UEBXMIKZZ
Name 3-(4-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-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/C21H20ClF2N2O.BrH/c22-16-7-5-15(6-8-16)19-14-26(20-4-2-1-3-13-25(19)20)17-9-11-18(12-10-17)27-21(23)24;/h5-12,14,21H,1-4,13H2;1H/q+1;/p-1
InChIKey FTKGWICXVGBKSU-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6006
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: 121929; Labnumber: EX00112439; VK_ID: VK-006009
Temperature 308 °C