| SpectraBase Compound ID | FwfBbnUZVB1 |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-5,7H,1,6H2,2H3 |
| InChIKey | NDWLNVJXXFPKJL-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 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 | 8iHzD3wqNLo |
|---|---|
| Name | 4-Allyloxy-3-methoxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-5,7H,1,6H2,2H3 |
| InChIKey | NDWLNVJXXFPKJL-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1(=C(C=CC(=C1)C#N)OCC=C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954722 |