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4,4,4-TRIFLUORO-3-(4-METHOXYBENZYL)-2-BUTANONE

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4,4,4-TRIFLUORO-3-(4-METHOXYBENZYL)-2-BUTANONE
SpectraBase Compound ID 8nZkTQXTzvQ
InChI InChI=1S/C12H13F3O2/c1-8(16)11(7-12(13,14)15)9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3
InChIKey IFNSWKCTELXYCP-UHFFFAOYSA-N
Mol Weight 246.23 g/mol
Molecular Formula C12H13F3O2
Exact Mass 246.086764 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYDajXpStAY
Name 4,4,4-TRIFLUORO-3-(4-METHOXYBENZYL)-2-BUTANONE
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-8(16)11(7-12(13,14)15)9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3
InChIKey IFNSWKCTELXYCP-UHFFFAOYSA-N
Literature Reference Author K.SATO,M.OMOTE,A.ANDO,I.KUMADAKI
Literature Reference Citation ORG.LETTERS,6,4359(2004)
Literature Reference DOI 10.1021/ol048134v
Solvent CDCl3
Source File Reference UWLU52448