| SpectraBase Compound ID | CTj4mw5gGI3 |
|---|---|
| InChI | InChI=1S/C14H13NO2/c1-17-14(16)13-10-15-8-7-12(13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3 |
| InChIKey | FGJXTERXFATHAP-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 | E426IdJHzbj |
|---|---|
| Name | 4-(Phenylmethyl)-3-pyridinecarboxylic acid methyl 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/c1-17-14(16)13-10-15-8-7-12(13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3 |
| InChIKey | FGJXTERXFATHAP-UHFFFAOYSA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | C=1C=C(C(=CN1)C(=O)OC)CC=1C=CC=CC1 |