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2,2,2-TRIFLUORO-1-[4-METHOXY-(2,3,5,6-(2)H4)-PHENYL]-ETHANONE
SpectraBase Compound ID Ay7wsWQot05
InChI InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3/i2D,3D,4D,5D
InChIKey NCJZVRPXSSYDBG-QFFDRWTDSA-N
Mol Weight 208.17 g/mol
Molecular Formula C9H32H4F3O2
Exact Mass 208.064921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaLbuV4AfO0
Name 2,2,2-TRIFLUORO-1-[4-METHOXY-(2,3,5,6-(2)H4)-PHENYL]-ETHANONE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H32H4F3O2
InChI InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3/i2D,3D,4D,5D
InChIKey NCJZVRPXSSYDBG-QFFDRWTDSA-N
Literature Reference Author Y.KOBAYASHI,C.SRIDAR,U.M.KENT,S.G.PUPPALI,J.M.RIMOLDI,H.ZHAN G,L.WASKELL,P.F.HOLL
Literature Reference Citation DRUG.MET.DISP.,34,2102(2006)
Literature Reference DOI 10.1124/dmd.106.011452
Molecular Weight 208.173 g/mol
Source File Reference UWLU74201