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2-Trifluoroacetylamino-4-oxo-4-phenylbutanoylpyrrolidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Trifluoroacetylamino-4-oxo-4-phenylbutanoylpyrrolidine
SpectraBase Compound ID IoLCHYHD0df
InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)20-12(14(23)21-8-4-5-9-21)10-13(22)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)
InChIKey KBGJYXUSMTWBQY-UHFFFAOYSA-N
Mol Weight 342.32 g/mol
Molecular Formula C16H17F3N2O3
Exact Mass 342.119127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fTufiEurif
Name 2-Trifluoroacetylamino-4-oxo-4-phenylbutanoylpyrrolidine
Comments Computed using HOSE algorithm
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Exact Mass 342.119126901 u
Formula C16H17F3N2O3
InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)20-12(14(23)21-8-4-5-9-21)10-13(22)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)
InChIKey KBGJYXUSMTWBQY-UHFFFAOYSA-N
Molecular Weight 342.318 g/mol
SMILES C(C(NC(C(N1CCCC1)=O)CC(=O)C=1C=CC=CC1)=O)(F)(F)F