| SpectraBase Compound ID | 2u7Gm5rZU1p |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-6-9-3-8(5-11)4-10(6)13-7(2)12-9/h3-4,7H,1-2H3 |
| InChIKey | AXXOJSPVTOKEEU-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | INymzRsobP4 |
|---|---|
| Name | p-Cyano-.alpha.,alpha.-ethylenedioxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-6-9-3-8(5-11)4-10(6)13-7(2)12-9/h3-4,7H,1-2H3 |
| InChIKey | AXXOJSPVTOKEEU-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=2C(=C(C=C(C#N)C2)OC(O1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905648 |