| SpectraBase Compound ID | GmPETalv4J2 |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6H2,1H3 |
| InChIKey | NSDFFKLRIYOAFO-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 | LtF4WCVRWZD |
|---|---|
| Name | 3-(2-Methoxyphenyl)propanenitrile |
| 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/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6H2,1H3 |
| InChIKey | NSDFFKLRIYOAFO-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C=1C=C(CCC#N)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920226 |