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N-Pentyl-N-trifluoroacetyl-L-phenylalanine, methyl ester

View entire compound with spectra: 1 NMR

N-Pentyl-N-trifluoroacetyl-L-phenylalanine, methyl ester
SpectraBase Compound ID GxOFrb3r1L6
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-11-21(16(23)17(18,19)20)14(15(22)24-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKey KXFYGYMLXHKPRO-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 AZiZPP2YZeQ
Name N-Pentyl-N-trifluoroacetyl-L-phenylalanine, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-11-21(16(23)17(18,19)20)14(15(22)24-2)12-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKey KXFYGYMLXHKPRO-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1(=CC=CC=C1)CC(C(OC)=O)N(C(=O)C(F)(F)F)CCCCC