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1-METHYL-3-(2,2,2-TRIFLUOROETHYLIDENE)-AZEPAN-2-ONE;MAJOR-DIASTEREOISOMER

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1-METHYL-3-(2,2,2-TRIFLUOROETHYLIDENE)-AZEPAN-2-ONE;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID 7DAoFhUi4lw
InChI InChI=1S/C9H12F3NO/c1-13-5-3-2-4-7(8(13)14)6-9(10,11)12/h6H,2-5H2,1H3/b7-6+
InChIKey VFYQNLCKMIGHJD-VOTSOKGWSA-N
Mol Weight 207.2 g/mol
Molecular Formula C9H12F3NO
Exact Mass 207.087098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETU1WQFUnPP
Name 1-METHYL-3-(2,2,2-TRIFLUOROETHYLIDENE)-AZEPAN-2-ONE;MAJOR-DIASTEREOISOMER
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12F3NO
InChI InChI=1S/C9H12F3NO/c1-13-5-3-2-4-7(8(13)14)6-9(10,11)12/h6H,2-5H2,1H3/b7-6+
InChIKey VFYQNLCKMIGHJD-VOTSOKGWSA-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 207.196 g/mol
Solvent CDCl3
Source File Reference UWSI8107