| SpectraBase Compound ID | 7j85CGB5O6e |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | GOCOKJDTFHEYKP-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B41YbMDBBpj |
|---|---|
| Name | 4-Methylphenoxyacetonitrile |
| 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/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | GOCOKJDTFHEYKP-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C1=CC(=CC=C1OCC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959925 |