| SpectraBase Compound ID | F1vKhupc9oy |
|---|---|
| InChI | InChI=1S/C14H10N2O6/c1-9-2-4-13(5-3-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,1H3 |
| InChIKey | RZSBJDXJIQWRBM-UHFFFAOYSA-N |
| Mol Weight | 302.24 g/mol |
| Molecular Formula | C14H10N2O6 |
| Exact Mass | 302.053886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RxYcNLUZiE |
|---|---|
| Name | 3,5-Dinitrobenzoic acid, p-tolyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.053886044 u |
| Formula | C14H10N2O6 |
| InChI | InChI=1S/C14H10N2O6/c1-9-2-4-13(5-3-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,1H3 |
| InChIKey | RZSBJDXJIQWRBM-UHFFFAOYSA-N |
| Molecular Weight | 302.242 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC(=C1)C(OC=1C=CC(=CC1)C)=O)N(=O)=O |