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5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-THIANTHRENE

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5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-THIANTHRENE
SpectraBase Compound ID BJosJwWKrGZ
InChI InChI=1S/C30H18F12O2S2/c31-27(32,33)25(28(34,35)36,19-11-3-1-4-12-19)43-46(23-17-9-7-15-21(23)45-22-16-8-10-18-24(22)46)44-26(29(37,38)39,30(40,41)42)20-13-5-2-6-14-20/h1-18H
InChIKey BYRBSFNJJBBRPT-UHFFFAOYSA-N
Mol Weight 702.57 g/mol
Molecular Formula C30H18F12O2S2
Exact Mass 702.05566 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeXcVt1j5eo
Name 5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-THIANTHRENE
CAS Registry Number 92-85-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H18F12O2S2
InChI InChI=1S/C30H18F12O2S2/c31-27(32,33)25(28(34,35)36,19-11-3-1-4-12-19)43-46(23-17-9-7-15-21(23)45-22-16-8-10-18-24(22)46)44-26(29(37,38)39,30(40,41)42)20-13-5-2-6-14-20/h1-18H
InChIKey BYRBSFNJJBBRPT-UHFFFAOYSA-N
Literature Reference Author E.F.PEROZZI,J.C.MARTIN
Literature Reference Citation J.ORG.CHEM.,42,3222(1977)
Literature Reference DOI 10.1021/jo00440a003
Solvent ETHER
Source File Reference UWPS1249