| SpectraBase Compound ID | CtIdZZ9llbL |
|---|---|
| InChI | InChI=1S/C14H13NO2/c16-14(13-6-9-15-10-7-13)17-11-8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2 |
| InChIKey | TWVFPHQINDOCCO-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 | KJvVS2dkTBA |
|---|---|
| Name | Isonicotinic 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(13-6-9-15-10-7-13)17-11-8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2 |
| InChIKey | TWVFPHQINDOCCO-UHFFFAOYSA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | C1(=CC=NC=C1)C(=O)OCCC1=CC=CC=C1 |