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5,7-DIMETHYL-3-[2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)-ETHYL]-2,1-BENZISOTHIAZOLE
SpectraBase Compound ID 6rfcfk3NmLO
InChI InChI=1S/C12H9F6NS/c1-5-3-6(2)8-7(4-5)9(20-19-8)10(11(13,14)15)12(16,17)18/h3-4,10H,1-2H3
InChIKey ZCOBLQAQVZJIEF-UHFFFAOYSA-N
Mol Weight 313.26 g/mol
Molecular Formula C12H9F6NS
Exact Mass 313.035989 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbQFLAOtrD7
Name 5,7-DIMETHYL-3-[2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)-ETHYL]-2,1-BENZISOTHIAZOLE
CAS Registry Number 66172-35-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F6NS
InChI InChI=1S/C12H9F6NS/c1-5-3-6(2)8-7(4-5)9(20-19-8)10(11(13,14)15)12(16,17)18/h3-4,10H,1-2H3
InChIKey ZCOBLQAQVZJIEF-UHFFFAOYSA-N
Literature Reference Author M.S.RAASCH
Literature Reference Citation J.ORG.CHEM.,43,2500(1978)
Literature Reference DOI 10.1021/jo00406a047
Solvent Unknown
Source File Reference UWPS1854