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N-(N-Propyl)-N-trifluoroacetyl-L-phenylalanine, N-propyl ester

View entire compound with spectra: 1 NMR

N-(N-Propyl)-N-trifluoroacetyl-L-phenylalanine, N-propyl ester
SpectraBase Compound ID B40UDEyCyI8
InChI InChI=1S/C17H22F3NO3/c1-3-10-21(16(23)17(18,19)20)14(15(22)24-11-4-2)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey PJODZVWKSCLRDN-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H22F3NO3
Exact Mass 345.155178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxwgCfB9hdJ
Name N-(N-Propyl)-N-trifluoroacetyl-L-phenylalanine, N-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-3-10-21(16(23)17(18,19)20)14(15(22)24-11-4-2)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey PJODZVWKSCLRDN-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1=C(C=CC=C1)CC(C(OCCC)=O)N(C(C(F)(F)F)=O)CCC