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N-Pentafluoropropionyl-N-phenylglycine, ethyl ester

View entire compound with spectra: 1 FTIR

N-Pentafluoropropionyl-N-phenylglycine, ethyl ester
SpectraBase Compound ID 3f39Gn5iNhC
InChI InChI=1S/C13H12F5NO3/c1-2-22-10(20)8-19(9-6-4-3-5-7-9)11(21)12(14,15)13(16,17)18/h3-7H,2,8H2,1H3
InChIKey OWBWBNSGIWTUCO-UHFFFAOYSA-N
Mol Weight 325.24 g/mol
Molecular Formula C13H12F5NO3
Exact Mass 325.073734 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FPqT27A7vYB
Name N-Pentafluoropropionyl-N-phenylglycine, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.073734062 u
Formula C13H12F5NO3
InChI InChI=1S/C13H12F5NO3/c1-2-22-10(20)8-19(9-6-4-3-5-7-9)11(21)12(14,15)13(16,17)18/h3-7H,2,8H2,1H3
InChIKey OWBWBNSGIWTUCO-UHFFFAOYSA-N
Molecular Weight 325.235 g/mol
SMILES C1=CC=CC(=C1)N(CC(=O)OCC)C(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935638