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4-(2-Nitrophenoxy)benzoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-(2-Nitrophenoxy)benzoic acid
SpectraBase Compound ID 1XUfp5Fm5ny
InChI InChI=1S/C13H9NO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H,(H,15,16)
InChIKey KLZUMRWYVXVOIM-UHFFFAOYSA-N
Mol Weight 259.22 g/mol
Molecular Formula C13H9NO5
Exact Mass 259.048072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LVlFDrM5kPb
Name 4-(2-Nitrophenoxy)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.048072389 u
Formula C13H9NO5
InChI InChI=1S/C13H9NO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H,(H,15,16)
InChIKey KLZUMRWYVXVOIM-UHFFFAOYSA-N
Molecular Weight 259.217 g/mol
SMILES C=1(OC=2C(=CC=CC2)N(=O)=O)C=CC(=CC1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91765