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4'-Nitrophthalanilic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

4'-Nitrophthalanilic acid
SpectraBase Compound ID GhFFSiPAYKi
InChI InChI=1S/C14H10N2O5/c17-13(11-3-1-2-4-12(11)14(18)19)15-9-5-7-10(8-6-9)16(20)21/h1-8H,(H,15,17)(H,18,19)
InChIKey HTQXIEKIBOJPHY-UHFFFAOYSA-N
Mol Weight 286.24 g/mol
Molecular Formula C14H10N2O5
Exact Mass 286.058971 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DlTHvrWLYl9
Name 4'-Nitrophthalanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.058971425 u
Formula C14H10N2O5
InChI InChI=1S/C14H10N2O5/c17-13(11-3-1-2-4-12(11)14(18)19)15-9-5-7-10(8-6-9)16(20)21/h1-8H,(H,15,17)(H,18,19)
InChIKey HTQXIEKIBOJPHY-UHFFFAOYSA-N
Molecular Weight 286.243 g/mol
SMILES N(C(C1=CC=CC=C1C(=O)O)=O)C1=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.938954