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N-[(2,4-difluorophenyl)carbamoyl]glycine, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

N-[(2,4-difluorophenyl)carbamoyl]glycine, ethyl ester
SpectraBase Compound ID FaBjPXOdHBn
InChI InChI=1S/C11H12F2N2O3/c1-2-18-10(16)6-14-11(17)15-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKey DJGPYRHWODDPSJ-UHFFFAOYSA-N
Mol Weight 258.22 g/mol
Molecular Formula C11H12F2N2O3
Exact Mass 258.081599 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BGi8j4aoFff
Name N-[(2,4-Difluorophenyl)carbamoyl]glycine, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.081598577 u
Formula C11H12F2N2O3
InChI InChI=1S/C11H12F2N2O3/c1-2-18-10(16)6-14-11(17)15-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKey DJGPYRHWODDPSJ-UHFFFAOYSA-N
Molecular Weight 258.225 g/mol
SMILES N(C1=CC=C(C=C1F)F)C(NCC(OCC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.85786