| SpectraBase Compound ID | IZSRSY3xE0e |
|---|---|
| InChI | InChI=1S/C13H11NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | CJXJQNNSSJBPBF-UHFFFAOYSA-N |
| Mol Weight | 213.24 g/mol |
| Molecular Formula | C13H11NO2 |
| Exact Mass | 213.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bXxPC6c5hL |
|---|---|
| Name | Methyl 5-phenylnicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.078978596 u |
| Formula | C13H11NO2 |
| InChI | InChI=1S/C13H11NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | CJXJQNNSSJBPBF-UHFFFAOYSA-N |
| Molecular Weight | 213.236 g/mol |
| SMILES | C=1(C=C(C=2C=CC=CC2)C=NC1)C(=O)OC |