| SpectraBase Compound ID | BJllfqom55q |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-6-3-8(5-10)4-9(11)7(6)2/h3-4,11H,1-2H3 |
| InChIKey | JXKKXKZCGBFOAI-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5zQtGtmKgb2 |
|---|---|
| Name | Benzonitrile, 3-hydroxy-4,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c1-6-3-8(5-10)4-9(11)7(6)2/h3-4,11H,1-2H3 |
| InChIKey | JXKKXKZCGBFOAI-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C=1(C(=C(C)C=C(C#N)C1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853043 |