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2-(3,4-dichlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)thiatriazole
SpectraBase Compound ID 1qd6aIq5epn
InChI InChI=1S/C10H3Cl2F6N3S/c11-5-2-1-4(3-6(5)12)21-20-19-8(22-21)7(9(13,14)15)10(16,17)18/h1-3H
InChIKey IDXFJSHHFKWEKP-UHFFFAOYSA-N
Mol Weight 382.11 g/mol
Molecular Formula C10H3Cl2F6N3S
Exact Mass 380.932893 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SuFfIsbqJv
Name 2-(3,4-dichlorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)thiatriazole
CAS Registry Number 66172-29-0
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H3Cl2F6N3S
InChI InChI=1S/C10H3Cl2F6N3S/c11-5-2-1-4(3-6(5)12)21-20-19-8(22-21)7(9(13,14)15)10(16,17)18/h1-3H
InChIKey IDXFJSHHFKWEKP-UHFFFAOYSA-N
Literature Reference Author M.S.RAASCH
Literature Reference Citation J.ORG.CHEM.,43,2500(1978)
Literature Reference DOI 10.1021/jo00406a047
Solvent CDCl3
Source File Reference UWPS1884