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1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID D9V0JgtpYUZ
InChI InChI=1S/C22H23F2N2O.BrH/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24;/h6-13,15,22H,2-5,14H2,1H3;1H/q+1;/p-1
InChIKey KPCXPNHPWPCHKL-UHFFFAOYSA-M
Mol Weight 449.34 g/mol
Molecular Formula C22H23BrF2N2O
Exact Mass 448.096183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTv127KkBEL
Name 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-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/C22H23F2N2O.BrH/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24;/h6-13,15,22H,2-5,14H2,1H3;1H/q+1;/p-1
InChIKey KPCXPNHPWPCHKL-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6007
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: 121930; Labnumber: EX00112440; VK_ID: VK-006010
Temperature 308 °C