![3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile](/api/spectrum/IxWbamcjxc/structure.png?h=300&w=458 "3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile")
| SpectraBase Compound ID | EDQDpXuXoae |
|---|---|
| InChI | InChI=1S/C17H15NO/c1-13(17(19)16-8-3-2-4-9-16)10-14-6-5-7-15(11-14)12-18/h2-11,17,19H,1H3/b13-10+ |
| InChIKey | JSIYPXNBGVKBGX-JLHYYAGUSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C17H15NO |
| Exact Mass | 249.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxWbamcjxc |
|---|---|
| Name | 3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.115364106 u |
| Formula | C17H15NO |
| InChI | InChI=1S/C17H15NO/c1-13(17(19)16-8-3-2-4-9-16)10-14-6-5-7-15(11-14)12-18/h2-11,17,19H,1H3/b13-10+ |
| InChIKey | JSIYPXNBGVKBGX-JLHYYAGUSA-N |
| Molecular Weight | 249.313 g/mol |
| SMILES | C=1C=C(C=CC1)C(\C(C)=C\C1=CC=CC(=C1)C#N)O |