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1-METHYL-3-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)-AZEPAN-2-ONE;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID BPVP4FIu0yS
InChI InChI=1S/C9H14F3NO2/c1-13-5-3-2-4-6(8(13)15)7(14)9(10,11)12/h6-7,14H,2-5H2,1H3
InChIKey YEJYQIVGEVUYFA-UHFFFAOYSA-N
Mol Weight 225.21 g/mol
Molecular Formula C9H14F3NO2
Exact Mass 225.097663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUpc2FSkHfh
Name 1-METHYL-3-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)-AZEPAN-2-ONE;MAJOR-DIASTEREOISOMER
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14F3NO2
InChI InChI=1S/C9H14F3NO2/c1-13-5-3-2-4-6(8(13)15)7(14)9(10,11)12/h6-7,14H,2-5H2,1H3
InChIKey YEJYQIVGEVUYFA-UHFFFAOYSA-N
Literature Reference Author J.P.BOUILLON,Z.JANOUSEK,H.G.VIEHE,B.TINANT,J.P.DECLERCQ
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1853(1996)
Literature Reference DOI 10.1039/p19960001853
Molecular Weight 225.211 g/mol
Solvent CDCl3
Source File Reference UWSI8100