| SpectraBase Compound ID | 3jBz2nKYQNZ |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3 |
| InChIKey | PQXBQWKKJUWNDI-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LCVQYj2DIvj |
|---|---|
| Name | Benzeneacetonitrile, 4-ethoxy- |
| 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/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3 |
| InChIKey | PQXBQWKKJUWNDI-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1(=CC=C(C=C1)OCC)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.991391 |