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1-{4-[(difluoromethyl)sulfanyl]phenyl}-2-phenyl-1H,5H,6H,7H-pyrrolo[1,2-a]imidazol-4-ium bromide
SpectraBase Compound ID JCcAoX4Jz0T
InChI InChI=1S/C19H17F2N2S.BrH/c20-19(21)24-16-10-8-15(9-11-16)23-17(14-5-2-1-3-6-14)13-22-12-4-7-18(22)23;/h1-3,5-6,8-11,13,19H,4,7,12H2;1H/q+1;/p-1
InChIKey WQIBWEHPPVOCDL-UHFFFAOYSA-M
Mol Weight 423.32 g/mol
Molecular Formula C19H17BrF2N2S
Exact Mass 422.026389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JorCAZLWmzL
Name 1-{4-[(difluoromethyl)sulfanyl]phenyl}-2-phenyl-1H,5H,6H,7H-pyrrolo[1,2-a]imidazol-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/C19H17F2N2S.BrH/c20-19(21)24-16-10-8-15(9-11-16)23-17(14-5-2-1-3-6-14)13-22-12-4-7-18(22)23;/h1-3,5-6,8-11,13,19H,4,7,12H2;1H/q+1;/p-1
InChIKey WQIBWEHPPVOCDL-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15170
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: 987/00001466; Labnumber: 987/00001466218817; VK_ID: VK-015175
Temperature 318 °C