| SpectraBase Compound ID | 7LxfRnJ0dpE |
|---|---|
| InChI | InChI=1S/C14H11NO4/c1-10-3-2-4-13(9-10)19-14(16)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3 |
| InChIKey | WIBCITOJDNRTAD-UHFFFAOYSA-N |
| Mol Weight | 257.24 g/mol |
| Molecular Formula | C14H11NO4 |
| Exact Mass | 257.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVJAEYka28B |
|---|---|
| Name | 4-Nitrobenzoic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.068807834 u |
| Formula | C14H11NO4 |
| InChI | InChI=1S/C14H11NO4/c1-10-3-2-4-13(9-10)19-14(16)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3 |
| InChIKey | WIBCITOJDNRTAD-UHFFFAOYSA-N |
| Molecular Weight | 257.245 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC(C)=CC=C1)=O)N(=O)=O |