| SpectraBase Compound ID | BCQuUF1ptCc |
|---|---|
| InChI | InChI=1S/C16H14N2O4/c1-2-22-16(19)13-7-9-14(17-11-13)8-6-12-4-3-5-15(10-12)18(20)21/h3-11H,2H2,1H3 |
| InChIKey | TZRUJYWAGSLODD-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C16H14N2O4 |
| Exact Mass | 298.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wyzlCtLgre |
|---|---|
| Name | 6-(m-Nitrostyryl)nicotinic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.095356935 u |
| Formula | C16H14N2O4 |
| InChI | InChI=1S/C16H14N2O4/c1-2-22-16(19)13-7-9-14(17-11-13)8-6-12-4-3-5-15(10-12)18(20)21/h3-11H,2H2,1H3 |
| InChIKey | TZRUJYWAGSLODD-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC=C(C1)C=CC=1N=CC(=CC1)C(OCC)=O |