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1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-butanone

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1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-butanone
SpectraBase Compound ID LIraewHE12J
InChI InChI=1S/C10H8ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4,9,16H,5H2
InChIKey AJAUFTJAMJLQJM-UHFFFAOYSA-N
Mol Weight 252.62 g/mol
Molecular Formula C10H8ClF3O2
Exact Mass 252.016492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vV5P0nn8ws
Name 1-(4-CHLOROPHENYL)-4,4,4-TRIFLUORO-3-HYDROXY-1-BUTANONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8ClF3O2
InChI InChI=1S/C10H8ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4,9,16H,5H2
InChIKey AJAUFTJAMJLQJM-UHFFFAOYSA-N
Literature Reference Author K.FUNABIKI,K.MATSUNAGA,M.NOJIRI,W.HASHIMOTO,H.YAMAMOTO,K.SHI BATA,M.MATSUI
Literature Reference Citation J.ORG.CHEM.,68,2853(2003)
Literature Reference DOI 10.1021/jo026697j
Molecular Weight 252.621 g/mol
Solvent CDCl3
Source File Reference UWSI22704