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