For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(4-fluorophenyl)-3-hydroxy-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID 4sQs5Matbbp
InChI InChI=1S/C21H24FN2O.BrH/c1-16-6-12-19(13-7-16)23-15-21(25,17-8-10-18(22)11-9-17)24-14-4-2-3-5-20(23)24;/h6-13,25H,2-5,14-15H2,1H3;1H/q+1;/p-1
InChIKey WWTLJEOUXUVQLW-UHFFFAOYSA-M
Mol Weight 419.34 g/mol
Molecular Formula C21H24BrFN2O
Exact Mass 418.105605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KAhvolsn79C
Name 3-(4-fluorophenyl)-3-hydroxy-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-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/C21H24FN2O.BrH/c1-16-6-12-19(13-7-16)23-15-21(25,17-8-10-18(22)11-9-17)24-14-4-2-3-5-20(23)24;/h6-13,25H,2-5,14-15H2,1H3;1H/q+1;/p-1
InChIKey WWTLJEOUXUVQLW-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9790
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: 128523; Labnumber: EX00112509; VK_ID: VK-009794
Temperature 315 °C