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L-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester
SpectraBase Compound ID 4Uta9xWnxsG
InChI InChI=1S/C18H16F3NO3/c1-25-17(24)15(10-12-6-3-2-4-7-12)22-16(23)13-8-5-9-14(11-13)18(19,20)21/h2-9,11,15H,10H2,1H3,(H,22,23)
InChIKey NJOHCJJTABIYRI-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 HESiLoz8Hdz
Name L-Phenylalanine, N-(3-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(10-12-6-3-2-4-7-12)22-16(23)13-8-5-9-14(11-13)18(19,20)21/h2-9,11,15H,10H2,1H3,(H,22,23)
InChIKey NJOHCJJTABIYRI-UHFFFAOYSA-N
Molecular Weight 351.325 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OC)=O)CC=1C=CC=CC1)=O)C(F)(F)F