John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1617HjIQ4jR SpectraBase Spectrum ID=ExlfBym7CpP

(accessed ).
1-METHYL-3-(2,2,2-TRIFLUOROETHYLIDENE)-PYRROLIDIN-2-ONE;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID 1617HjIQ4jR
InChI InChI=1S/C7H8F3NO/c1-11-3-2-5(6(11)12)4-7(8,9)10/h4H,2-3H2,1H3/b5-4+
InChIKey BJNOWUSECVJVNE-SNAWJCMRSA-N
Mol Weight 179.14 g/mol
Molecular Formula C7H8F3NO
Exact Mass 179.055799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExlfBym7CpP
Name 1-METHYL-3-(2,2,2-TRIFLUOROETHYLIDENE)-PYRROLIDIN-2-ONE;MAJOR-DIASTEREOISOMER
Compound Number 7A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8F3NO
InChI InChI=1S/C7H8F3NO/c1-11-3-2-5(6(11)12)4-7(8,9)10/h4H,2-3H2,1H3/b5-4+
InChIKey BJNOWUSECVJVNE-SNAWJCMRSA-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 179.142 g/mol
Solvent CDCl3
Source File Reference UWSI8103
SpectraBase Batch ID ErwMQHl0k6E