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3-(3,4-dichlorophenyl)-1-(4-nitrobenzyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID 2GfyIZNfSzx
InChI InChI=1S/C21H20Cl2N3O2.BrH/c22-18-10-7-16(12-19(18)23)20-14-24(21-4-2-1-3-11-25(20)21)13-15-5-8-17(9-6-15)26(27)28;/h5-10,12,14H,1-4,11,13H2;1H/q+1;/p-1
InChIKey UIDMEYYFKUAAPJ-UHFFFAOYSA-M
Mol Weight 497.22 g/mol
Molecular Formula C21H20BrCl2N3O2
Exact Mass 495.011595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NtPfLY80Zi
Name 3-(3,4-dichlorophenyl)-1-(4-nitrobenzyl)-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/C21H20Cl2N3O2.BrH/c22-18-10-7-16(12-19(18)23)20-14-24(21-4-2-1-3-11-25(20)21)13-15-5-8-17(9-6-15)26(27)28;/h5-10,12,14H,1-4,11,13H2;1H/q+1;/p-1
InChIKey UIDMEYYFKUAAPJ-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5956
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: 121865; Labnumber: EX00112269; VK_ID: VK-005959
Temperature 308 °C