| SpectraBase Compound ID | 6lI7PiCix0l |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-4-7(5(2)8)10-6(3)9/h4H,1-3H3/b7-4- |
| InChIKey | VOKUJGXVUAESLN-DAXSKMNVSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3uZ892iiPC2 |
|---|---|
| Name | 3-Acetoxypent-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-4-7(5(2)8)10-6(3)9/h4H,1-3H3/b7-4- |
| InChIKey | VOKUJGXVUAESLN-DAXSKMNVSA-N |
| SMILES | CC(\C(=C\C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874655 |