| SpectraBase Compound ID | E7dPHRIQIQM |
|---|---|
| InChI | InChI=1S/C14H11NO4/c1-10-3-2-4-11(9-10)14(16)19-13-7-5-12(6-8-13)15(17)18/h2-9H,1H3 |
| InChIKey | CWXGZYLOHXHWAL-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 | Ci7L6W05Bb5 |
|---|---|
| Name | m-Toluic acid, 4-nitrophenyl 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/c1-10-3-2-4-11(9-10)14(16)19-13-7-5-12(6-8-13)15(17)18/h2-9H,1H3 |
| InChIKey | CWXGZYLOHXHWAL-UHFFFAOYSA-N |
| Molecular Weight | 257.245 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC=1C=CC(=CC1)N(=O)=O)=O)C |