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L-Phenylalanine, N-heptafluorobutyryl-, butyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-heptafluorobutyryl-, butyl ester
SpectraBase Compound ID I6n9ycTiwrH
InChI InChI=1S/C17H18F7NO3/c1-2-3-9-28-13(26)12(10-11-7-5-4-6-8-11)25-14(27)15(18,19)16(20,21)17(22,23)24/h4-8,12H,2-3,9-10H2,1H3,(H,25,27)
InChIKey OCQYHUKFEDQUNZ-UHFFFAOYSA-N
Mol Weight 417.32 g/mol
Molecular Formula C17H18F7NO3
Exact Mass 417.117491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3K5ozgBgkV
Name L-Phenylalanine, N-heptafluorobutyryl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.117490582 u
Formula C17H18F7NO3
InChI InChI=1S/C17H18F7NO3/c1-2-3-9-28-13(26)12(10-11-7-5-4-6-8-11)25-14(27)15(18,19)16(20,21)17(22,23)24/h4-8,12H,2-3,9-10H2,1H3,(H,25,27)
InChIKey OCQYHUKFEDQUNZ-UHFFFAOYSA-N
Molecular Weight 417.324 g/mol
SMILES CCCCOC(=O)C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1