| SpectraBase Compound ID | KtdCP4yNs3K |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-3-5-7(6-9)8(10)11-4-2/h7H,3-5H2,1-2H3 |
| InChIKey | MLVRCZPSHCVRHN-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7CkMm5zpvUL |
|---|---|
| Name | Pentanoic acid, 2-cyano-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-3-5-7(6-9)8(10)11-4-2/h7H,3-5H2,1-2H3 |
| InChIKey | MLVRCZPSHCVRHN-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | CCCC(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.928111 |