| SpectraBase Compound ID | 3qTC2wDXEU4 |
|---|---|
| InChI | InChI=1S/C9H15NO2/c1-4-9(5-2,7-10)8(11)12-6-3/h4-6H2,1-3H3 |
| InChIKey | MYPRYLUIKAKSET-UHFFFAOYSA-N |
| Mol Weight | 169.22 g/mol |
| Molecular Formula | C9H15NO2 |
| Exact Mass | 169.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3kBtireVZde |
|---|---|
| Name | 2-Cyano-2-ethylbutyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.110278725 u |
| Formula | C9H15NO2 |
| InChI | InChI=1S/C9H15NO2/c1-4-9(5-2,7-10)8(11)12-6-3/h4-6H2,1-3H3 |
| InChIKey | MYPRYLUIKAKSET-UHFFFAOYSA-N |
| Molecular Weight | 169.224 g/mol |
| SMILES | CCC(C(OCC)=O)(CC)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.98468 |