| SpectraBase Compound ID | CLBS9bTmszA |
|---|---|
| InChI | InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3 |
| InChIKey | DCWQZPJHHVLHSV-UHFFFAOYSA-N |
| Mol Weight | 99.13 g/mol |
| Molecular Formula | C5H9NO |
| Exact Mass | 99.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KGcInkYSBq3 |
|---|---|
| Name | 3-Ethoxypropionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 99.068413913 u |
| Formula | C5H9NO |
| InChI | InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3 |
| InChIKey | DCWQZPJHHVLHSV-UHFFFAOYSA-N |
| SMILES | C(OCC)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.990148 |