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3-AMINO-N-BENZOYL-3-METHYL-1,1,1-TRIFLUOROBUTAN-2-ONE
SpectraBase Compound ID EgZMLpGnGVm
InChI InChI=1S/C12H12F3NO2/c1-11(2,10(18)12(13,14)15)16-9(17)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKey MYTJMPHGOLZFIT-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnBunZjvsDo
Name 3-AMINO-N-BENZOYL-3-METHYL-1,1,1-TRIFLUOROBUTAN-2-ONE
Compound Number 20C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-11(2,10(18)12(13,14)15)16-9(17)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKey MYTJMPHGOLZFIT-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 UWSI28571