| SpectraBase Compound ID | 3HeW559lfws |
|---|---|
| InChI | InChI=1S/C14H9NO7/c16-13(17)11-5-4-10(7-12(11)14(18)19)22-9-3-1-2-8(6-9)15(20)21/h1-7H,(H,16,17)(H,18,19) |
| InChIKey | VUDXTDPDLUQWOZ-UHFFFAOYSA-N |
| Mol Weight | 303.23 g/mol |
| Molecular Formula | C14H9NO7 |
| Exact Mass | 303.037902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPlMB4MlhA1 |
|---|---|
| Name | 4-(3-Nitrophenoxy)phthalic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.037901627 u |
| Formula | C14H9NO7 |
| InChI | InChI=1S/C14H9NO7/c16-13(17)11-5-4-10(7-12(11)14(18)19)22-9-3-1-2-8(6-9)15(20)21/h1-7H,(H,16,17)(H,18,19) |
| InChIKey | VUDXTDPDLUQWOZ-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)OC1=CC(=C(C=C1)C(=O)O)C(=O)O |