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

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5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-PHENOXATHIIN
SpectraBase Compound ID 1Plm0JoqYqV
InChI InChI=1S/C30H18F12O3S/c31-27(32,33)25(28(34,35)36,19-11-3-1-4-12-19)44-46(23-17-9-7-15-21(23)43-22-16-8-10-18-24(22)46)45-26(29(37,38)39,30(40,41)42)20-13-5-2-6-14-20/h1-18H
InChIKey YIUYDFVJWICIKL-UHFFFAOYSA-N
Mol Weight 686.51 g/mol
Molecular Formula C30H18F12O3S
Exact Mass 686.078504 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ljre2EpOmpq
Name 5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-PHENOXATHIIN
CAS Registry Number 262-20-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H18F12O3S
InChI InChI=1S/C30H18F12O3S/c31-27(32,33)25(28(34,35)36,19-11-3-1-4-12-19)44-46(23-17-9-7-15-21(23)43-22-16-8-10-18-24(22)46)45-26(29(37,38)39,30(40,41)42)20-13-5-2-6-14-20/h1-18H
InChIKey YIUYDFVJWICIKL-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 UWPS1248