| SpectraBase Compound ID | 8fgNw7Ue1u2 |
|---|---|
| InChI | InChI=1S/C16H11NO2/c17-12-14-8-4-5-9-15(14)19-16(18)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+ |
| InChIKey | GMJQXHCKJUMABM-ZHACJKMWSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C16H11NO2 |
| Exact Mass | 249.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ILlNJH8ER5 |
|---|---|
| Name | (2-Cyanophenyl) (E)-3-phenylprop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.078978596 u |
| Formula | C16H11NO2 |
| InChI | InChI=1S/C16H11NO2/c17-12-14-8-4-5-9-15(14)19-16(18)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+ |
| InChIKey | GMJQXHCKJUMABM-ZHACJKMWSA-N |
| Molecular Weight | 249.269 g/mol |
| SMILES | C(#N)C=1C(OC(\C=C\C=2C=CC=CC2)=O)=CC=CC1 |