John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3cf84ZLloJN SpectraBase Spectrum ID=11CHJxpZEC0

(accessed ).
3-METHYL-1,6.(7,9)-TETRAKIS-(TRIFLUOROMETHYL)-8-THIATRICYCLO-[4.3.0.0.(7,9)]-NON-3-ENE
SpectraBase Compound ID 3cf84ZLloJN
InChI InChI=1S/C13H8F12S/c1-5-2-3-6(10(14,15)16)7(4-5,11(17,18)19)9(13(23,24)25)8(6,26-9)12(20,21)22/h2H,3-4H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKey TZRYJDWTJYCWLG-XAVMHZPKSA-N
Mol Weight 424.25 g/mol
Molecular Formula C13H8F12S
Exact Mass 424.015511 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11CHJxpZEC0
Name 3-METHYL-1,6.(7,9)-TETRAKIS-(TRIFLUOROMETHYL)-8-THIATRICYCLO-[4.3.0.0.(7,9)]-NON-3-ENE
Compound Number 13
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F12S
InChI InChI=1S/C13H8F12S/c1-5-2-3-6(10(14,15)16)7(4-5,11(17,18)19)9(13(23,24)25)8(6,26-9)12(20,21)22/h2H,3-4H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKey TZRYJDWTJYCWLG-XAVMHZPKSA-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 UWPS1828
SpectraBase Batch ID 3H1hkaMJQK2