John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9f4aZPWeMyc SpectraBase Spectrum ID=1jeMPnVJHrW

(accessed ).
5,6,7-TRIFLUORO-1,3-BENZOTHIAZOLE-2-(3H)-THIONE
SpectraBase Compound ID 9f4aZPWeMyc
InChI InChI=1S/C7H2F3NS2/c8-2-1-3-6(5(10)4(2)9)13-7(12)11-3/h1H,(H,11,12)
InChIKey ZTDWMQONFIHJED-UHFFFAOYSA-N
Mol Weight 221.22 g/mol
Molecular Formula C7H2F3NS2
Exact Mass 220.958077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jeMPnVJHrW
Name 5,6,7-TRIFLUORO-1,3-BENZOTHIAZOLE-2-(3H)-THIONE
Compound Number 10H
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H2F3NS2
InChI InChI=1S/C7H2F3NS2/c8-2-1-3-6(5(10)4(2)9)13-7(12)11-3/h1H,(H,11,12)
InChIKey ZTDWMQONFIHJED-UHFFFAOYSA-N
Literature Reference Author L.ZHU,M.ZHANG
Literature Reference Citation J.ORG.CHEM.,69,7371(2004)
Literature Reference DOI 10.1021/jo049056s
Molecular Weight 221.215 g/mol
Solvent DMSO-D6
Source File Reference UWVN22535
SpectraBase Batch ID CDhItA0ICxW