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dl-N-Benzoylaspartic acid

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

dl-N-Benzoylaspartic acid
SpectraBase Compound ID 6KfHX2fvPHj
InChI InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)
InChIKey DJLTZJGULPLVOA-UHFFFAOYSA-N
Mol Weight 237.21 g/mol
Molecular Formula C11H11NO5
Exact Mass 237.063722 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A6HnklLDDYm
Name dl-N-Benzoylaspartic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.063722453 u
Formula C11H11NO5
InChI InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)
InChIKey DJLTZJGULPLVOA-UHFFFAOYSA-N
Molecular Weight 237.211 g/mol
SMILES N(C(C1=CC=CC=C1)=O)C(CC(O)=O)C(O)=O
Spectrum/Structure Validation Score (Raman) 0.883393