| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYVwyWfwNPa |
|---|---|
| Name | 4-(2-Nitrophenoxy)benzoic acid |
| Comments | Computed using HOSE algorithm |
| 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 |