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D-Phenylalanine, N-benzyl-N-trifluoroacetyl-, methyl ester

View entire compound with spectra: 1 NMR

D-Phenylalanine, N-benzyl-N-trifluoroacetyl-, methyl ester
SpectraBase Compound ID 2PI13X1IF26
InChI InChI=1S/C19H18F3NO3/c1-26-17(24)16(12-14-8-4-2-5-9-14)23(18(25)19(20,21)22)13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKey HCVRGIJOGDMQPA-UHFFFAOYSA-N
Mol Weight 365.35 g/mol
Molecular Formula C19H18F3NO3
Exact Mass 365.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JJcj6qmG6Y
Name D-Phenylalanine, N-benzyl-N-trifluoroacetyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.123877930 u
Formula C19H18F3NO3
InChI InChI=1S/C19H18F3NO3/c1-26-17(24)16(12-14-8-4-2-5-9-14)23(18(25)19(20,21)22)13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKey HCVRGIJOGDMQPA-UHFFFAOYSA-N
Molecular Weight 365.352 g/mol
SMILES C1(=CC=CC=C1)CC(N(CC1=CC=CC=C1)C(C(F)(F)F)=O)C(=O)OC