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2-(DIFLUOROMETHYL)-6-METHOXY-2-(TRIFLUOROMETHYL)-CHROMAN-4-ONE
SpectraBase Compound ID 3eIqa8pqna0
InChI InChI=1S/C12H9F5O3/c1-19-6-2-3-9-7(4-6)8(18)5-11(20-9,10(13)14)12(15,16)17/h2-4,10H,5H2,1H3
InChIKey MPQBCQFQAMRFSM-UHFFFAOYSA-N
Mol Weight 296.19 g/mol
Molecular Formula C12H9F5O3
Exact Mass 296.047185 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ld1WPJMeYS5
Name 2-(DIFLUOROMETHYL)-6-METHOXY-2-(TRIFLUOROMETHYL)-CHROMAN-4-ONE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F5O3
InChI InChI=1S/C12H9F5O3/c1-19-6-2-3-9-7(4-6)8(18)5-11(20-9,10(13)14)12(15,16)17/h2-4,10H,5H2,1H3
InChIKey MPQBCQFQAMRFSM-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 UWLU27806