| SpectraBase Compound ID | 1EopRKGEY4P |
|---|---|
| InChI | InChI=1S/C15H11NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,11H2 |
| InChIKey | GIDNRRAOOBZPAB-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq45zCCFbNY |
|---|---|
| Name | 4-Cyanobenzoic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.078978596 u |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,11H2 |
| InChIKey | GIDNRRAOOBZPAB-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C1(=CC=CC=C1)COC(C1=CC=C(C=C1)C#N)=O |