| SpectraBase Compound ID | DOb8Ua6R3h8 |
|---|---|
| InChI | InChI=1S/C16H13NO2/c17-12-14-7-4-8-15(11-14)19-16(18)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2 |
| InChIKey | VNDXZLJIXWOTAH-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 | L7Gv9ax7jzx |
|---|---|
| Name | 3-Cyanophenyl-.beta.-phenylpropionate |
| 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/c17-12-14-7-4-8-15(11-14)19-16(18)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2 |
| InChIKey | VNDXZLJIXWOTAH-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OC1=CC=CC(=C1)C#N)=O |