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N-Formyl-o-benzylisoglutamine

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

N-Formyl-o-benzylisoglutamine
SpectraBase Compound ID 5G4WcNDYP2P
InChI InChI=1S/C13H16N2O4/c14-13(18)11(15-9-16)6-7-12(17)19-8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,14,18)(H,15,16)
InChIKey LJIZLVVLEYQXEW-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C13H16N2O4
Exact Mass 264.111007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1dZ0DE6Dbrh
Name N-Formyl-o-benzylisoglutamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.111006999 u
Formula C13H16N2O4
InChI InChI=1S/C13H16N2O4/c14-13(18)11(15-9-16)6-7-12(17)19-8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,14,18)(H,15,16)
InChIKey LJIZLVVLEYQXEW-UHFFFAOYSA-N
Molecular Weight 264.281 g/mol
SMILES C1=CC=C(C=C1)COC(CCC(C(N)=O)NC=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904155