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dl-Norleucine, N-benzoyl-6,6,6-trifluoro-, ethyl ester

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

dl-Norleucine, N-benzoyl-6,6,6-trifluoro-, ethyl ester
SpectraBase Compound ID YDU6AHx47m
InChI InChI=1S/C15H18F3NO3/c1-2-22-14(21)12(9-6-10-15(16,17)18)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)
InChIKey BPVWADAYBGHINT-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEVV2LeLxXw
Name dl-Norleucine, N-benzoyl-6,6,6-trifluoro-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 317.123877930 u
Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-2-22-14(21)12(9-6-10-15(16,17)18)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)
InChIKey BPVWADAYBGHINT-UHFFFAOYSA-N
Molecular Weight 317.308 g/mol
SMILES C(NC(C(=O)OCC)CCCC(F)(F)F)(=O)C1=CC=CC=C1