| SpectraBase Compound ID | FscV2SjTdnX |
|---|---|
| InChI | InChI=1S/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2 |
| InChIKey | BSTITMHKRRGVPH-UHFFFAOYSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C14H13NO2 |
| Exact Mass | 227.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RqFGU8WpKL |
|---|---|
| Name | Nicotinic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.094628661 u |
| Formula | C14H13NO2 |
| InChI | InChI=1S/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2 |
| InChIKey | BSTITMHKRRGVPH-UHFFFAOYSA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | C1=CC=C(C=C1)CCOC(C1=CN=CC=C1)=O |