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L-Phenylalanine, N-pentafluoropropionyl-, isobutyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-pentafluoropropionyl-, isobutyl ester
SpectraBase Compound ID 2dEBkLlUIhk
InChI InChI=1S/C16H18F5NO3/c1-10(2)9-25-13(23)12(8-11-6-4-3-5-7-11)22-14(24)15(17,18)16(19,20)21/h3-7,10,12H,8-9H2,1-2H3,(H,22,24)
InChIKey OBUMSQYNXSUXLR-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 9jEiegqIqAd
Name L-Phenylalanine, N-pentafluoropropionyl-, isobutyl 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/c1-10(2)9-25-13(23)12(8-11-6-4-3-5-7-11)22-14(24)15(17,18)16(19,20)21/h3-7,10,12H,8-9H2,1-2H3,(H,22,24)
InChIKey OBUMSQYNXSUXLR-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(OCC(C)C)=O