| SpectraBase Compound ID | 2AVkKWH3yhL |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3 |
| InChIKey | IXKFNTFJUHTDNE-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9h4Z1ptU5Lt |
|---|---|
| Name | 2-Acetyl-4-pentenoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3 |
| InChIKey | IXKFNTFJUHTDNE-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C=CCC(C(=O)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.973958 |