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3'-Nitrophthalanilic acid

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

3'-Nitrophthalanilic acid
SpectraBase Compound ID 7uVNCBY5Lfb
InChI InChI=1S/C14H10N2O5/c17-13(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)
InChIKey YXVQPOZILUGWQW-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 3JaUG8bOINV
Name 3'-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(11-6-1-2-7-12(11)14(18)19)15-9-4-3-5-10(8-9)16(20)21/h1-8H,(H,15,17)(H,18,19)
InChIKey YXVQPOZILUGWQW-UHFFFAOYSA-N
Molecular Weight 286.243 g/mol
SMILES OC(C=1C=CC=CC1C(NC1=CC=CC(=C1)N(=O)=O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.96281