| SpectraBase Compound ID | 7oYJe3fH6a9 |
|---|---|
| InChI | InChI=1S/C12H8N2O4/c15-12(9-4-3-7-13-8-9)18-11-6-2-1-5-10(11)14(16)17/h1-8H |
| InChIKey | YIILCUGYQGMUJH-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H8N2O4 |
| Exact Mass | 244.048407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTgj9Z4DNY0 |
|---|---|
| Name | Nicotinic acid, o-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.048406742 u |
| Formula | C12H8N2O4 |
| InChI | InChI=1S/C12H8N2O4/c15-12(9-4-3-7-13-8-9)18-11-6-2-1-5-10(11)14(16)17/h1-8H |
| InChIKey | YIILCUGYQGMUJH-UHFFFAOYSA-N |
| Molecular Weight | 244.206 g/mol |
| SMILES | C(=O)(C1=CC=CN=C1)OC1=C(C=CC=C1)N(=O)=O |