| SpectraBase Compound ID | 3F8ou5QZCvN |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-5H2,1-3H3 |
| InChIKey | PDNWTAKWRFVPEB-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LVXx6FyNjrE |
|---|---|
| Name | 2,5-Dimethoxy-4-ethyl-benzylcyanide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-5H2,1-3H3 |
| InChIKey | PDNWTAKWRFVPEB-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C=1(C(=CC(=C(C1)CC)OC)CC#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9558 |