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2.(3,5),6-TETRAKIS-(TRIFLUOROMETHYL)-4-THIA-10-AZATETRACYCLO-[5.2.1.0.(2,6).0.(3,5)]-DEC-8-ENE
SpectraBase Compound ID 28ak8FGWLEB
InChI InChI=1S/C12H5F12NS/c13-9(14,15)5-3-1-2-4(25-3)6(5,10(16,17)18)8(12(22,23)24)7(5,26-8)11(19,20)21/h1-4,25H/t3-,4+,5+,6-,7+,8-
InChIKey AKHCSPKSSDBFIM-COPVUAKWSA-N
Mol Weight 423.22 g/mol
Molecular Formula C12H5F12NS
Exact Mass 422.995108 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XSmkqlI9ia
Name 2.(3,5),6-TETRAKIS-(TRIFLUOROMETHYL)-4-THIA-10-AZATETRACYCLO-[5.2.1.0.(2,6).0.(3,5)]-DEC-8-ENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H5F12NS
InChI InChI=1S/C12H5F12NS/c13-9(14,15)5-3-1-2-4(25-3)6(5,10(16,17)18)8(12(22,23)24)7(5,26-8)11(19,20)21/h1-4,25H/t3-,4+,5+,6-,7+,8-
InChIKey AKHCSPKSSDBFIM-COPVUAKWSA-N
Literature Reference Author Y.KOBAYASHI,I.KUMADAKI,A.OHSAWA,Y.SEKINE,A.ANDO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2355(1977)
Literature Reference DOI 10.1039/p19770002355
Solvent CDCl3
Source File Reference UWPS1831