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4-TRIFLUOROMETHYL-4,5,7-TRIFLUORO-2,1,3-BENZOTHIADIAZOLE
SpectraBase Compound ID JqCWqMwrxxr
InChI InChI=1S/C7F6N2S/c8-2-1(7(11,12)13)3(9)5-6(4(2)10)15-16-14-5
InChIKey UIDBNVWMVQMASZ-UHFFFAOYSA-N
Mol Weight 258.14 g/mol
Molecular Formula C7F6N2S
Exact Mass 257.968638 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNcGvfmsacP
Name 4-TRIFLUOROMETHYL-4,5,7-TRIFLUORO-2,1,3-BENZOTHIADIAZOLE
Comments ALL PEAKS WERE ASSIGNED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7F6N2S
InChI InChI=1S/C7F6N2S/c8-2-1(7(11,12)13)3(9)5-6(4(2)10)15-16-14-5
InChIKey UIDBNVWMVQMASZ-UHFFFAOYSA-N
Instrument Name Varian A56/60A
Literature Reference ANDRY V. ZIBAREV, ALEXEY O. MILLER (1990) J.Fluor.Chem.: v.50, N3, 359-363.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d