| SpectraBase Compound ID | 64UReh1FlWn |
|---|---|
| InChI | InChI=1S/C15H15NO2/c17-15(14-9-4-10-16-12-14)18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | IJXNGPWCHMAWGL-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C15H15NO2 |
| Exact Mass | 241.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bnT1bVbaqD |
|---|---|
| Name | Nicotinic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.110278725 u |
| Formula | C15H15NO2 |
| InChI | InChI=1S/C15H15NO2/c17-15(14-9-4-10-16-12-14)18-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | IJXNGPWCHMAWGL-UHFFFAOYSA-N |
| Molecular Weight | 241.290 g/mol |
| SMILES | C1=CC=C(C=C1)CCCOC(C1=CN=CC=C1)=O |