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1,1,1-TRIFLUORO-4,4-DIMETHYL-5-PHENYL-3-PENTANONE

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1,1,1-TRIFLUORO-4,4-DIMETHYL-5-PHENYL-3-PENTANONE
SpectraBase Compound ID 1pwaEWw3bBB
InChI InChI=1S/C13H15F3O/c1-12(2,11(17)9-13(14,15)16)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey OFALLGGDEMXHNU-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C13H15F3O
Exact Mass 244.1075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZFz5AMuGQx
Name 1,1,1-TRIFLUORO-4,4-DIMETHYL-5-PHENYL-3-PENTANONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15F3O
InChI InChI=1S/C13H15F3O/c1-12(2,11(17)9-13(14,15)16)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey OFALLGGDEMXHNU-UHFFFAOYSA-N
Literature Reference Author Y.ITOH,K.MIKAMI
Literature Reference Citation ORG.LETTERS,7,649(2005)
Literature Reference DOI 10.1021/ol047565a
Molecular Weight 244.257 g/mol
Sample ID 42153
Solvent CDCl3