| SpectraBase Compound ID | GqVfcuKSGJs |
|---|---|
| InChI | InChI=1S/C11H9NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-7H,8H2 |
| InChIKey | QTIZVCZKVWASSP-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C11H9NO |
| Exact Mass | 171.068414 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 53F8ihBbRj5 |
|---|---|
| Name | 3-oxo-5-Phenyl-4-pentenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.068413913 u |
| Formula | C11H9NO |
| InChI | InChI=1S/C11H9NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-7H,8H2 |
| InChIKey | QTIZVCZKVWASSP-UHFFFAOYSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C=1C(=CC=CC1)C=CC(CC#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.924365 |