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[5,7-BIS-(TRIFLUOROACETYL)-CYCLOPENTA-[C]-PYRAN-3-YL]-ACETONITRILE-[HYDROXY-(TRIFLUOROMETHYL)-METHYLENE]-SALT
SpectraBase Compound ID Eq4b5SrNk90
InChI InChI=1S/C16H4F9NO4/c17-14(18,19)11(27)6-1-7(12(28)15(20,21)22)9-4-30-10(2-5(6)9)8(3-26)13(29)16(23,24)25/h1-2,4,27H/p-1/b10-8-,11-6-
InChIKey VOWDTEQBNAZTLV-KEAQVDKYSA-M
Mol Weight 444.19 g/mol
Molecular Formula C16H3F9NO4
Exact Mass 443.991836 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LduwgCFjNmk
Name [5,7-BIS-(TRIFLUOROACETYL)-CYCLOPENTA-[C]-PYRAN-3-YL]-ACETONITRILE-[HYDROXY-(TRIFLUOROMETHYL)-METHYLENE]-SALT
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H3F9NO4
InChI InChI=1S/C16H4F9NO4/c17-14(18,19)11(27)6-1-7(12(28)15(20,21)22)9-4-30-10(2-5(6)9)8(3-26)13(29)16(23,24)25/h1-2,4,27H/p-1/b10-8-,11-6-
InChIKey VOWDTEQBNAZTLV-KEAQVDKYSA-M
Literature Reference Author E.GUELLUEK,E.BOGDAN,M.CHRISTL
Literature Reference Citation EUR.J.ORG.CHEM.,531(2006)
Literature Reference DOI 10.1002/ejoc.200500631
Solvent DMSO-D6
Source File Reference UWLU43023