![2-[2-(4-Cyanophenyl)-2-oxoethyl]benzoic acid](/api/spectrum/CYniRg09Ajs/structure.png?h=300&w=458 "2-[2-(4-Cyanophenyl)-2-oxoethyl]benzoic acid")
| SpectraBase Compound ID | Ctzp99O0skz |
|---|---|
| InChI | InChI=1S/C16H11NO3/c17-10-11-5-7-12(8-6-11)15(18)9-13-3-1-2-4-14(13)16(19)20/h1-8H,9H2,(H,19,20) |
| InChIKey | YACBMXGKZXHNQE-UHFFFAOYSA-N |
| Mol Weight | 265.27 g/mol |
| Molecular Formula | C16H11NO3 |
| Exact Mass | 265.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYniRg09Ajs |
|---|---|
| Name | 2-[2-(4-Cyanophenyl)-2-oxoethyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.073893215 u |
| Formula | C16H11NO3 |
| InChI | InChI=1S/C16H11NO3/c17-10-11-5-7-12(8-6-11)15(18)9-13-3-1-2-4-14(13)16(19)20/h1-8H,9H2,(H,19,20) |
| InChIKey | YACBMXGKZXHNQE-UHFFFAOYSA-N |
| SMILES | C(C=1C(=CC=CC1)CC(=O)C=1C=CC(=CC1)C#N)(=O)O |