| SpectraBase Compound ID | AR2KPP0OzTk |
|---|---|
| InChI | InChI=1S/C9H15NO2/c1-3-8(4-2)7-12-9(11)5-6-10/h8H,3-5,7H2,1-2H3 |
| InChIKey | FVKDMAZNKWXVHZ-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 | kvUmelaSmd |
|---|---|
| Name | Cyanoacetic acid, 2-ethylbutyl 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/c1-3-8(4-2)7-12-9(11)5-6-10/h8H,3-5,7H2,1-2H3 |
| InChIKey | FVKDMAZNKWXVHZ-UHFFFAOYSA-N |
| Molecular Weight | 169.224 g/mol |
| SMILES | C(C#N)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969561 |