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2-Aminosuccinic acid, 4-benzylester

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

2-Aminosuccinic acid, 4-benzylester
SpectraBase Compound ID 4M43Jlmv9BK
InChI InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)
InChIKey VGALFAWDSNRXJK-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7ptCPDGqwWP
Name 2-Aminosuccinic acid, 4-benzylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.084457899 u
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)
InChIKey VGALFAWDSNRXJK-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
Nominal Mass 223 u
SMILES OC(C(CC(OCC1=CC=CC=C1)=O)N)=O
Spectrum/Structure Validation Score (Raman) 0.982527