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3-AMINO-3-METHYL-N-(PHENOXYACETYL)-1,1,1-TRIFLUOROBUTAN-2-ONE
SpectraBase Compound ID 3qoIF1yCrl5
InChI InChI=1S/C13H14F3NO3/c1-12(2,11(19)13(14,15)16)17-10(18)8-20-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKey XALLHLWCXODXMP-UHFFFAOYSA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8THFsaQGPth
Name 3-AMINO-3-METHYL-N-(PHENOXYACETYL)-1,1,1-TRIFLUOROBUTAN-2-ONE
Compound Number 23C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-12(2,11(19)13(14,15)16)17-10(18)8-20-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKey XALLHLWCXODXMP-UHFFFAOYSA-N
Literature Reference Author M.W.WALTER,R.M.ADLINGTON,J.E.BALDWIN,C.J.SCHOFIELD
Literature Reference Citation J.ORG.CHEM.,63,5179(1998)
Literature Reference DOI 10.1021/jo980443+
Solvent CDCl3
Source File Reference UWSI28573