| SpectraBase Compound ID | HiEUzDZ5cyw |
|---|---|
| InChI | InChI=1S/C18H15NO2/c1-2-21-18(20)17(13-19)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-12H,2H2,1H3/b17-12+ |
| InChIKey | VJNUWPIZALRAAC-SFQUDFHCSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C18H15NO2 |
| Exact Mass | 277.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMGUCZJhFZo |
|---|---|
| Name | 2-Propenoic acid, 2-cyano-3-(3-phenylphenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.110278725 u |
| Formula | C18H15NO2 |
| InChI | InChI=1S/C18H15NO2/c1-2-21-18(20)17(13-19)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-12H,2H2,1H3/b17-12+ |
| InChIKey | VJNUWPIZALRAAC-SFQUDFHCSA-N |
| SMILES | C1=C(C=CC=C1C1=CC=CC=C1)\C=C\(C(OCC)=O)C#N |