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l-Phenylalanine, N-trifluoroacetyl-, cyclohexyl ester
SpectraBase Compound ID 5CpLFqxgmbU
InChI InChI=1S/C17H20F3NO3/c18-17(19,20)16(23)21-14(11-12-7-3-1-4-8-12)15(22)24-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,21,23)
InChIKey FPGAXEGJIXWPEJ-UHFFFAOYSA-N
Mol Weight 343.35 g/mol
Molecular Formula C17H20F3NO3
Exact Mass 343.139528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9xd27Qj4H8
Name L-Phenylalanine, N-trifluoroacetyl-, cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.139527994 u
Formula C17H20F3NO3
InChI InChI=1S/C17H20F3NO3/c18-17(19,20)16(23)21-14(11-12-7-3-1-4-8-12)15(22)24-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,21,23)
InChIKey FPGAXEGJIXWPEJ-UHFFFAOYSA-N
Molecular Weight 343.346 g/mol
SMILES C(F)(C(=O)N[C@](C(OC1CCCCC1)=O)(CC1=CC=CC=C1)[H])(F)F