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3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID KqbPrHLwNAs
InChI InChI=1S/C22H22ClN2O.BrH/c23-19-12-10-17(11-13-19)20-15-24(22-9-5-2-6-14-25(20)22)16-21(26)18-7-3-1-4-8-18;/h1,3-4,7-8,10-13,15H,2,5-6,9,14,16H2;1H/q+1;/p-1
InChIKey RKNRQZOEVPMUQT-UHFFFAOYSA-M
Mol Weight 445.79 g/mol
Molecular Formula C22H22BrClN2O
Exact Mass 444.060404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ib4fQ5ByB1U
Name 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-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/C22H22ClN2O.BrH/c23-19-12-10-17(11-13-19)20-15-24(22-9-5-2-6-14-25(20)22)16-21(26)18-7-3-1-4-8-18;/h1,3-4,7-8,10-13,15H,2,5-6,9,14,16H2;1H/q+1;/p-1
InChIKey RKNRQZOEVPMUQT-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5879
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: 121773; Labnumber: EX00112062; VK_ID: VK-005882
Temperature 318 °C