| SpectraBase Compound ID | GylgwHeNCYL |
|---|---|
| InChI | InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3 |
| InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N |
| Mol Weight | 130.14 g/mol |
| Molecular Formula | C6H10O3 |
| Exact Mass | 130.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6FJmRJLMSzs |
|---|---|
| Name | Butanoic acid, 2-oxo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.062994179 u |
| Formula | C6H10O3 |
| InChI | InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3 |
| InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N |
| SMILES | CCC(C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95616 |