| SpectraBase Compound ID | AEqFArnoega |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6H2,1H3 |
| InChIKey | RXPUIKMFNFLESE-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B9WWDAD8fIj |
|---|---|
| Name | p-Hydroxy-alpha-methylhydrocinnamonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6H2,1H3 |
| InChIKey | RXPUIKMFNFLESE-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | OC=1C=CC(=CC1)CC(C#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.94106 |