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1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID F97YBHxF1hD
InChI InChI=1S/C22H20BrCl2N2O.BrH/c23-17-8-5-15(6-9-17)21(28)14-26-13-20(16-7-10-18(24)19(25)12-16)27-11-3-1-2-4-22(26)27;/h5-10,12-13H,1-4,11,14H2;1H/q+1;/p-1
InChIKey GGQDSUPRMOHCRU-UHFFFAOYSA-M
Mol Weight 559.13 g/mol
Molecular Formula C22H20Br2Cl2N2O
Exact Mass 555.931945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPxYB1OEW6F
Name 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3,4-dichlorophenyl)-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/C22H20BrCl2N2O.BrH/c23-17-8-5-15(6-9-17)21(28)14-26-13-20(16-7-10-18(24)19(25)12-16)27-11-3-1-2-4-22(26)27;/h5-10,12-13H,1-4,11,14H2;1H/q+1;/p-1
InChIKey GGQDSUPRMOHCRU-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5900
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: 121798; Labnumber: EX00112134; VK_ID: VK-005903
Temperature 318 °C