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6-TERT.-BUTYL-1,2,4,5-TETRAKIS-(TRIFLUOROMETHYL)-6-AZA-3-THIATRICYCLO-[3.1.0.0.(2,4)]-HEXANE
SpectraBase Compound ID KAFxTFWPp7Y
InChI InChI=1S/C12H9F12NS/c1-4(2,3)25-5(9(13,14)15)6(25,10(16,17)18)8(12(22,23)24)7(5,26-8)11(19,20)21/h1-3H3/t5-,6+,7+,8-,25?
InChIKey KULLZQQNUVLVIL-NVJHRTBYSA-N
Mol Weight 427.25 g/mol
Molecular Formula C12H9F12NS
Exact Mass 427.026408 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgfXMBxTdLf
Name 6-TERT.-BUTYL-1,2,4,5-TETRAKIS-(TRIFLUOROMETHYL)-6-AZA-3-THIATRICYCLO-[3.1.0.0.(2,4)]-HEXANE
CAS Registry Number 73688-03-6
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F12NS
InChI InChI=1S/C12H9F12NS/c1-4(2,3)25-5(9(13,14)15)6(25,10(16,17)18)8(12(22,23)24)7(5,26-8)11(19,20)21/h1-3H3/t5-,6+,7+,8-,25?
InChIKey KULLZQQNUVLVIL-NVJHRTBYSA-N
Literature Reference Author Y.KOBAYASHI,A.ANDO,K.KAWADA,I.KUMADAKI
Literature Reference Citation J.ORG.CHEM.,45,2966(1980)
Literature Reference DOI 10.1021/jo01303a010
Solvent CDCl3
Source File Reference UWPS1637