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L-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester
SpectraBase Compound ID JBfYSlhdRA2
InChI InChI=1S/C18H16F3NO3/c1-25-17(24)15(11-12-7-3-2-4-8-12)22-16(23)13-9-5-6-10-14(13)18(19,20)21/h2-10,15H,11H2,1H3,(H,22,23)
InChIKey DFYVDBGYKDQXTB-UHFFFAOYSA-N
Mol Weight 351.33 g/mol
Molecular Formula C18H16F3NO3
Exact Mass 351.108228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8pIMawdxgD
Name L-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.108227865 u
Formula C18H16F3NO3
InChI InChI=1S/C18H16F3NO3/c1-25-17(24)15(11-12-7-3-2-4-8-12)22-16(23)13-9-5-6-10-14(13)18(19,20)21/h2-10,15H,11H2,1H3,(H,22,23)
InChIKey DFYVDBGYKDQXTB-UHFFFAOYSA-N
Molecular Weight 351.325 g/mol
SMILES C1=CC=C(C=C1)CC(C(OC)=O)NC(=O)C1=C(C(F)(F)F)C=CC=C1