| SpectraBase Compound ID | AhZzTrfjuRm |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h3-10H,2H2,1H3 |
| InChIKey | ULFIAHFQEURGOU-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 | GyCc2rGD8FQ |
|---|---|
| Name | Benzoic acid, 4-ethyl-, 4-cyanophenyl ester |
| 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/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h3-10H,2H2,1H3 |
| InChIKey | ULFIAHFQEURGOU-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C1=C(C=CC(=C1)CC)C(=O)OC=1C=CC(=CC1)C#N |