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3-Chloro-2,2-bis(trifluoromethyl)chroman-4-one
SpectraBase Compound ID 7vGkI7xh3RH
InChI InChI=1S/C11H5ClF6O2/c12-8-7(19)5-3-1-2-4-6(5)20-9(8,10(13,14)15)11(16,17)18/h1-4,8H
InChIKey FMBVMGNCHCZEAY-UHFFFAOYSA-N
Mol Weight 318.6 g/mol
Molecular Formula C11H5ClF6O2
Exact Mass 317.988226 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4W8Z4IxtDd9
Name 3-CHLORO-2,2-BIS-(TRIFLUOROMETHYL)-CHROMAN-4-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H5ClF6O2
InChI InChI=1S/C11H5ClF6O2/c12-8-7(19)5-3-1-2-4-6(5)20-9(8,10(13,14)15)11(16,17)18/h1-4,8H
InChIKey FMBVMGNCHCZEAY-UHFFFAOYSA-N
Literature Reference Author V.Y.SOSNOVSKIKH,B.I.USACHEV,D.V.SEVENARD,G.V.ROESCHENTHALER
Literature Reference Citation J.ORG.CHEM.,68,7747(2003)
Literature Reference DOI 10.1021/jo034591y
Solvent CDCl3
Source File Reference UWLU27808