| SpectraBase Compound ID | DCwGWbeYhut |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-3-15-12-5-4-10(9(2)14)8-11(12)6-7-13/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | PQLVVZLKLRHGGX-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8HpM0hMheP0 |
|---|---|
| Name | (5-Acetyl-2-ethoxyphenyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-3-15-12-5-4-10(9(2)14)8-11(12)6-7-13/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | PQLVVZLKLRHGGX-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=1C(=C(C=CC1C(C)=O)OCC)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.84387 |