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L-Phenylalanine, N-pentafluoropropionyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-pentafluoropropionyl-, butyl ester
SpectraBase Compound ID 7dTJH6K6t2D
InChI InChI=1S/C16H18F5NO3/c1-2-3-9-25-13(23)12(10-11-7-5-4-6-8-11)22-14(24)15(17,18)16(19,20)21/h4-8,12H,2-3,9-10H2,1H3,(H,22,24)
InChIKey AYCLHSDTIGUZDL-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C16H18F5NO3
Exact Mass 367.120684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMefARw8oBN
Name L-Phenylalanine, N-pentafluoropropionyl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.120684256 u
Formula C16H18F5NO3
InChI InChI=1S/C16H18F5NO3/c1-2-3-9-25-13(23)12(10-11-7-5-4-6-8-11)22-14(24)15(17,18)16(19,20)21/h4-8,12H,2-3,9-10H2,1H3,(H,22,24)
InChIKey AYCLHSDTIGUZDL-UHFFFAOYSA-N
Molecular Weight 367.316 g/mol
SMILES C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCC)=O