| SpectraBase Compound ID | 3WCAIjP9CQM |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4-7H,2-3,8,10H2,1H3 |
| InChIKey | SKTHXBXIQFAXPC-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Hcq4MBVOk6 |
|---|---|
| Name | 4-Butoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4-7H,2-3,8,10H2,1H3 |
| InChIKey | SKTHXBXIQFAXPC-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | CCCCOC=1C=CC(=CC1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944937 |