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3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID 5MbqIVMUCtR
InChI InChI=1S/C22H22F3N2.BrH/c1-16-9-11-17(12-10-16)20-15-27(21-8-3-2-4-13-26(20)21)19-7-5-6-18(14-19)22(23,24)25;/h5-7,9-12,14-15H,2-4,8,13H2,1H3;1H/q+1;/p-1
InChIKey SHLPQVBZCKXLHP-UHFFFAOYSA-M
Mol Weight 451.33 g/mol
Molecular Formula C22H22BrF3N2
Exact Mass 450.091846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2eUj9kka5Qd
Name 3-(4-methylphenyl)-1-[3-(trifluoromethyl)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/C22H22F3N2.BrH/c1-16-9-11-17(12-10-16)20-15-27(21-8-3-2-4-13-26(20)21)19-7-5-6-18(14-19)22(23,24)25;/h5-7,9-12,14-15H,2-4,8,13H2,1H3;1H/q+1;/p-1
InChIKey SHLPQVBZCKXLHP-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9830
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: 128567; Labnumber: EX00112600; VK_ID: VK-009834
Temperature 315 °C