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(3S)-3-AMINO-N-BENZOYL-4-PHENYL-1,1,1-TRIFLUOROBUTAN-2-ONE;HYDRATE-FORM
SpectraBase Compound ID 7SrJ8BdXVbe
InChI InChI=1S/C17H16F3NO2/c18-17(19,20)15(22)14(11-12-7-3-1-4-8-12)21-16(23)13-9-5-2-6-10-13/h1-10,14-15,22H,11H2,(H,21,23)/t14-,15?/m0/s1
InChIKey YSTOGOUISZLEJD-MLCCFXAWSA-N
Mol Weight 323.32 g/mol
Molecular Formula C17H16F3NO2
Exact Mass 323.113313 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4U1snkzjPhU
Name (3S)-3-AMINO-N-BENZOYL-4-PHENYL-1,1,1-TRIFLUOROBUTAN-2-ONE;HYDRATE-FORM
Compound Number 27C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16F3NO2
InChI InChI=1S/C17H16F3NO2/c18-17(19,20)15(22)14(11-12-7-3-1-4-8-12)21-16(23)13-9-5-2-6-10-13/h1-10,14-15,22H,11H2,(H,21,23)/t14-,15?/m0/s1
InChIKey YSTOGOUISZLEJD-MLCCFXAWSA-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 ACETONE-D6
Source File Reference UWSI28576