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2-{4-[(difluoromethyl)sulfanyl]phenyl}-1-(4-ethylphenyl)-1H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-4-ium bromide
SpectraBase Compound ID 4W54jmJHuiM
InChI InChI=1S/C23H25F2N2S.BrH/c1-2-17-7-11-19(12-8-17)27-21(16-26-15-5-3-4-6-22(26)27)18-9-13-20(14-10-18)28-23(24)25;/h7-14,16,23H,2-6,15H2,1H3;1H/q+1;/p-1
InChIKey KDLTZCQLDUOXMW-UHFFFAOYSA-M
Mol Weight 479.43 g/mol
Molecular Formula C23H25BrF2N2S
Exact Mass 478.088989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6T0IVUz30bB
Name 2-{4-[(difluoromethyl)sulfanyl]phenyl}-1-(4-ethylphenyl)-1H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-4-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/C23H25F2N2S.BrH/c1-2-17-7-11-19(12-8-17)27-21(16-26-15-5-3-4-6-22(26)27)18-9-13-20(14-10-18)28-23(24)25;/h7-14,16,23H,2-6,15H2,1H3;1H/q+1;/p-1
InChIKey KDLTZCQLDUOXMW-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17662
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: 987/00005919; Labnumber: 987/00005919218872; VK_ID: VK-017667
Temperature 318 °C