| SpectraBase Compound ID | 5mM4yG40J2Y |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8-5-9(3-4-11)7-10(6-8)12-2/h5-7H,3H2,1-2H3 |
| InChIKey | WVFKOKMJDKFCAR-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 | 1Ccaf4kEW86 |
|---|---|
| Name | 3'-Methoxy-5'-methylbenzeneacetonitrile |
| 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/c1-8-5-9(3-4-11)7-10(6-8)12-2/h5-7H,3H2,1-2H3 |
| InChIKey | WVFKOKMJDKFCAR-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1(OC)=CC(=CC(=C1)CC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938566 |