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3-OXO-6-PHENYL-1,1,1-TRIFLUOROMETHYLHEPTANAL

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3-OXO-6-PHENYL-1,1,1-TRIFLUOROMETHYLHEPTANAL
SpectraBase Compound ID C5mEGxuZspB
InChI InChI=1S/C13H13F3O2/c14-13(15,16)8-12(18)7-6-11(9-17)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKey DTRHVYRNMDJZOM-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C13H13F3O2
Exact Mass 258.086764 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ky3wLiFsktE
Name 3-OXO-6-PHENYL-1,1,1-TRIFLUOROMETHYLHEPTANAL
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F3O2
InChI InChI=1S/C13H13F3O2/c14-13(15,16)8-12(18)7-6-11(9-17)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKey DTRHVYRNMDJZOM-UHFFFAOYSA-N
Literature Reference Author H.MOLINES,C.WAKSELMAN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1114(1980)
Literature Reference DOI 10.1039/p19800001114
Solvent CDCl3
Source File Reference UWPS3209