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3-[3-(trifluoromethyl)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-iminium 5,5-dioxide bromide
SpectraBase Compound ID 5gwpvjBZEUB
InChI InChI=1S/C12H11F3N2O2S2.BrH/c13-12(14,15)7-2-1-3-8(4-7)17-9-5-21(18,19)6-10(9)20-11(17)16;/h1-4,9-10,16H,5-6H2;1H
InChIKey WYWGZGOXIYMOBE-UHFFFAOYSA-N
Mol Weight 417.26 g/mol
Molecular Formula C12H12BrF3N2O2S2
Exact Mass 415.947567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CEihFINojQ
Name 3-[3-(trifluoromethyl)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-iminium 5,5-dioxide 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/C12H11F3N2O2S2.BrH/c13-12(14,15)7-2-1-3-8(4-7)17-9-5-21(18,19)6-10(9)20-11(17)16;/h1-4,9-10,16H,5-6H2;1H
InChIKey WYWGZGOXIYMOBE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10176
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: D68905; Labnumber: ExZader-0060; SBI_ID: SBI-010179
Temperature 318 °C