| SpectraBase Compound ID | CaEVc0cjX1A |
|---|---|
| InChI | InChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3 |
| InChIKey | YKRYFWGYMGFVCO-UHFFFAOYSA-N |
| Mol Weight | 229.23 g/mol |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCY3AiJp8fm |
|---|---|
| Name | Nicotinic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.073893215 u |
| Formula | C13H11NO3 |
| InChI | InChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3 |
| InChIKey | YKRYFWGYMGFVCO-UHFFFAOYSA-N |
| Molecular Weight | 229.235 g/mol |
| SMILES | COC1=CC=C(OC(C2=CN=CC=C2)=O)C=C1 |