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D-Phenylalanine, N-pentafluoropropionyl-, isopropyl ester

View entire compound with spectra: 1 NMR

D-Phenylalanine, N-pentafluoropropionyl-, isopropyl ester
SpectraBase Compound ID 1kHAvleimWs
InChI InChI=1S/C15H16F5NO3/c1-9(2)24-12(22)11(8-10-6-4-3-5-7-10)21-13(23)14(16,17)15(18,19)20/h3-7,9,11H,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKey HCIIWPLMRKWLNR-LLVKDONJSA-N
Mol Weight 353.29 g/mol
Molecular Formula C15H16F5NO3
Exact Mass 353.105034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FURxdaTtZu
Name D-Phenylalanine, N-pentafluoropropionyl-, isopropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.105034191 u
Formula C15H16F5NO3
InChI InChI=1S/C15H16F5NO3/c1-9(2)24-12(22)11(8-10-6-4-3-5-7-10)21-13(23)14(16,17)15(18,19)20/h3-7,9,11H,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKey HCIIWPLMRKWLNR-LLVKDONJSA-N
Molecular Weight 353.289 g/mol
SMILES C([C@](C(=O)OC(C)C)(NC(C(F)(C(F)(F)F)F)=O)[H])C1=CC=CC=C1