| SpectraBase Compound ID | Hye6B36uhcy |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16) |
| InChIKey | AEMXUPRNANAQQS-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8O5zWu1MwMc |
|---|---|
| Name | 4-(3-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)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16) |
| InChIKey | AEMXUPRNANAQQS-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)OC1=CC=C(C=C1)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955023 |