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L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpentyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
SpectraBase Compound ID A0quH1zFYhY
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-12(2)24-15(22)14(21-16(23)17(18,19)20)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,21,23)
InChIKey QYFLFCZYTDVMNE-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 H0oafWhuRe6
Name L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-12(2)24-15(22)14(21-16(23)17(18,19)20)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,21,23)
InChIKey QYFLFCZYTDVMNE-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES [C@@](CC1=CC=CC=C1)(C(OC(CCCC)C)=O)(NC(C(F)(F)F)=O)[H]