| SpectraBase Spectrum ID |
Cdk1Pa6dDir |
| Name |
Benzonitrile, 4-[2-(4-hydroxyphenyl)ethenyl]-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.084063977 u |
| Formula |
C15H11NO |
| InChI |
InChI=1S/C15H11NO/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h1-10,17H/b2-1+ |
| InChIKey |
VBJOQNKBUYXGLJ-OWOJBTEDSA-N |
| Molecular Weight |
221.259 g/mol |
| SMILES |
OC1=CC=C(\C=C\C2=CC=C(C=C2)C#N)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.968075 |
![Benzonitrile, 4-[2-(4-hydroxyphenyl)ethenyl]-, (E)-](/api/spectrum/Cdk1Pa6dDir/structure.png?h=300&w=458 "Benzonitrile, 4-[2-(4-hydroxyphenyl)ethenyl]-, (E)-")
