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3-(4-chlorophenyl)-1-{4-[(difluoromethyl)sulfanyl]phenyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
SpectraBase Compound ID ColyWy9pw9N
InChI InChI=1S/C19H16ClF2N2S.BrH/c20-14-5-3-13(4-6-14)17-12-24(18-2-1-11-23(17)18)15-7-9-16(10-8-15)25-19(21)22;/h3-10,12,19H,1-2,11H2;1H/q+1;/p-1
InChIKey ITGQQZHDMHYXLF-UHFFFAOYSA-M
Mol Weight 457.76 g/mol
Molecular Formula C19H16BrClF2N2S
Exact Mass 455.987417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I19OlXEesm8
Name 3-(4-chlorophenyl)-1-{4-[(difluoromethyl)sulfanyl]phenyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-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/C19H16ClF2N2S.BrH/c20-14-5-3-13(4-6-14)17-12-24(18-2-1-11-23(17)18)15-7-9-16(10-8-15)25-19(21)22;/h3-10,12,19H,1-2,11H2;1H/q+1;/p-1
InChIKey ITGQQZHDMHYXLF-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6014
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: 121938; Labnumber: EX00112473; VK_ID: VK-006017
Temperature 308 °C