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5-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-RESORCINOL;DIHYDROXY_FORM
SpectraBase Compound ID 1msdfM3q9A1
InChI InChI=1S/C14H8F6O2/c15-13(16,17)9-1-7(2-10(5-9)14(18,19)20)8-3-11(21)6-12(22)4-8/h1-6,21-22H
InChIKey JRSLYOFVFQHRFE-UHFFFAOYSA-N
Mol Weight 322.21 g/mol
Molecular Formula C14H8F6O2
Exact Mass 322.042848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GWZXC8a6PX
Name 5-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-RESORCINOL;DIHYDROXY_FORM
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H8F6O2
InChI InChI=1S/C14H8F6O2/c15-13(16,17)9-1-7(2-10(5-9)14(18,19)20)8-3-11(21)6-12(22)4-8/h1-6,21-22H
InChIKey JRSLYOFVFQHRFE-UHFFFAOYSA-N
Literature Reference Author I.GOETTKER-SCHNETMANN,P.WHITE,M.BROOKHART
Literature Reference Citation J.AM.CHEM.SOC.,126,1804(2004)
Literature Reference DOI 10.1021/ja0385235
Molecular Weight 322.207 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ21897