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2-oxo-3-[4-Nitrophenyl]propanoic acid

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

2-oxo-3-[4-Nitrophenyl]propanoic acid
SpectraBase Compound ID B4iQELNWxd3
InChI InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey CIGYFQSAFKLMAL-UHFFFAOYSA-N
Mol Weight 209.16 g/mol
Molecular Formula C9H7NO5
Exact Mass 209.032422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HbTl80JPj8c
Name 2-oxo-3-[4-Nitrophenyl]propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.032422324 u
Formula C9H7NO5
InChI InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey CIGYFQSAFKLMAL-UHFFFAOYSA-N
Molecular Weight 209.157 g/mol
SMILES C1(=CC=C(C=C1)N(=O)=O)CC(C(O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918891