| SpectraBase Compound ID | JLjyWVRQngZ |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | DULUKHADKMYILX-UHFFFAOYSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33GmJ8fDczf |
|---|---|
| Name | 3-Ethoxy-4-methoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | DULUKHADKMYILX-UHFFFAOYSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C1=C(C=CC(=C1OCC)OC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97204 |