| SpectraBase Spectrum ID |
5MQdC54nJZI |
| Name |
3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896357 |
![3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile](/api/spectrum/5MQdC54nJZI/structure.png?h=300&w=458 "3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile")
