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thiazolium, 4-(2-ammonioethyl)-2-[4-(trifluoromethyl)phenyl]-, dichloride
SpectraBase Compound ID pgSo4sobMI
InChI InChI=1S/C12H11F3N2S.2ClH/c13-12(14,15)9-3-1-8(2-4-9)11-17-10(5-6-16)7-18-11;;/h1-4,7H,5-6,16H2;2*1H
InChIKey FBKKAURIQIFUCZ-UHFFFAOYSA-N
Mol Weight 345.21 g/mol
Molecular Formula C12H13Cl2F3N2S
Exact Mass 344.012859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K3VYLCie5RK
Name thiazolium, 4-(2-ammonioethyl)-2-[4-(trifluoromethyl)phenyl]-, dichloride
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/C12H11F3N2S.2ClH/c13-12(14,15)9-3-1-8(2-4-9)11-17-10(5-6-16)7-18-11;;/h1-4,7H,5-6,16H2;2*1H
InChIKey FBKKAURIQIFUCZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7133
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: NMR/18301003; Labnumber: ANIKIN-0000002