| SpectraBase Compound ID | FHWvGwPNZNY |
|---|---|
| InChI | InChI=1S/C15H11NO2/c1-11-4-2-3-5-14(11)18-15(17)13-8-6-12(10-16)7-9-13/h2-9H,1H3 |
| InChIKey | WZYRZQSCQIKYSA-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 | KuviVH3ngZ3 |
|---|---|
| Name | 4-Cyanobenzoic acid, 2-methylphenyl 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/c1-11-4-2-3-5-14(11)18-15(17)13-8-6-12(10-16)7-9-13/h2-9H,1H3 |
| InChIKey | WZYRZQSCQIKYSA-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C1(=CC=C(C=C1)C#N)C(OC1=CC=CC=C1C)=O |