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L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester
SpectraBase Compound ID 7V33YJgwRiw
InChI InChI=1S/C18H22F5NO3/c1-12(2)7-6-10-27-15(25)14(11-13-8-4-3-5-9-13)24-16(26)17(19,20)18(21,22)23/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)
InChIKey JQUMOOLSHNOQGO-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C18H22F5NO3
Exact Mass 395.151984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dVijhbIbpf
Name L-Phenylalanine, N-pentafluoropropionyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.151984384 u
Formula C18H22F5NO3
InChI InChI=1S/C18H22F5NO3/c1-12(2)7-6-10-27-15(25)14(11-13-8-4-3-5-9-13)24-16(26)17(19,20)18(21,22)23/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)
InChIKey JQUMOOLSHNOQGO-UHFFFAOYSA-N
Molecular Weight 395.370 g/mol
SMILES C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCC(C)C)=O