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isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-(trifluoromethyl)-
SpectraBase Compound ID 9RRtJVJ5C9p
InChI InChI=1S/C8H4BrF3N2S/c1-3-2-4(8(10,11)12)13-7-5(3)6(9)14-15-7/h2H,1H3
InChIKey IGQITGHMHKUCAQ-UHFFFAOYSA-N
Mol Weight 297.09 g/mol
Molecular Formula C8H4BrF3N2S
Exact Mass 295.923067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1TMgdyJrdwj
Name isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-(trifluoromethyl)-
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/C8H4BrF3N2S/c1-3-2-4(8(10,11)12)13-7-5(3)6(9)14-15-7/h2H,1H3
InChIKey IGQITGHMHKUCAQ-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_361
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: 63TSH0.010; IOH_ID: IOH-007362