| SpectraBase Compound ID | 3l2hbs9e5Nv |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-6,9H,1-2H3 |
| InChIKey | ORLUSUHPHRJTTH-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9DSnWdXPzK1 |
|---|---|
| Name | 2-(4-Methylphenoxy)propionitrile |
| 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/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-6,9H,1-2H3 |
| InChIKey | ORLUSUHPHRJTTH-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C(C(C)OC=1C=CC(=CC1)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807515 |