| SpectraBase Compound ID | 51JAbEcSXuS |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-2-19-16(18)15-5-3-4-14(10-15)13-8-6-12(11-17)7-9-13/h3-10H,2H2,1H3 |
| InChIKey | KPLMOZNBQVTKCS-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tNuUJGdDx7 |
|---|---|
| Name | Ethyl 3-(4-cyanophenyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c1-2-19-16(18)15-5-3-4-14(10-15)13-8-6-12(11-17)7-9-13/h3-10H,2H2,1H3 |
| InChIKey | KPLMOZNBQVTKCS-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C(C=1C=C(C=CC1)C=1C=CC(=CC1)C#N)(=O)OCC |