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L-Phenylalanine, N-pentafluoropropionyl-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Phenylalanine, N-pentafluoropropionyl-, ethyl ester
SpectraBase Compound ID InVEIgM9mEd
InChI InChI=1S/C14H14F5NO3/c1-2-23-11(21)10(8-9-6-4-3-5-7-9)20-12(22)13(15,16)14(17,18)19/h3-7,10H,2,8H2,1H3,(H,20,22)
InChIKey SWIIZDOASUPMEX-UHFFFAOYSA-N
Mol Weight 339.26 g/mol
Molecular Formula C14H14F5NO3
Exact Mass 339.089384 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lg00NxTyuUl
Name L-Phenylalanine, N-pentafluoropropionyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.089384127 u
Formula C14H14F5NO3
InChI InChI=1S/C14H14F5NO3/c1-2-23-11(21)10(8-9-6-4-3-5-7-9)20-12(22)13(15,16)14(17,18)19/h3-7,10H,2,8H2,1H3,(H,20,22)
InChIKey SWIIZDOASUPMEX-UHFFFAOYSA-N
Molecular Weight 339.262 g/mol
SMILES C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837543