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1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID AYYwqC03jyq
InChI InChI=1S/C21H22ClN2O.BrH/c1-25-19-12-6-16(7-13-19)20-15-24(18-10-8-17(22)9-11-18)21-5-3-2-4-14-23(20)21;/h6-13,15H,2-5,14H2,1H3;1H/q+1;/p-1
InChIKey XRXPYJKMLFJDDS-UHFFFAOYSA-M
Mol Weight 433.78 g/mol
Molecular Formula C21H22BrClN2O
Exact Mass 432.060404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RHrOrU3emO
Name 1-(4-chlorophenyl)-3-(4-methoxyphenyl)-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/C21H22ClN2O.BrH/c1-25-19-12-6-16(7-13-19)20-15-24(18-10-8-17(22)9-11-18)21-5-3-2-4-14-23(20)21;/h6-13,15H,2-5,14H2,1H3;1H/q+1;/p-1
InChIKey XRXPYJKMLFJDDS-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5946
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: 121853; Labnumber: EX00112240; VK_ID: VK-005949
Temperature 308 °C