| SpectraBase Compound ID | Ex0EgKE7qYz |
|---|---|
| InChI | InChI=1S/C6H8O3/c1-4(7)5(2)9-6(3)8/h2H2,1,3H3 |
| InChIKey | OUEUSGBKCLJPAC-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C6H8O3 |
| Exact Mass | 128.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85yKkr6X51w |
|---|---|
| Name | 3-Acetoxy-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.047344115 u |
| Formula | C6H8O3 |
| InChI | InChI=1S/C6H8O3/c1-4(7)5(2)9-6(3)8/h2H2,1,3H3 |
| InChIKey | OUEUSGBKCLJPAC-UHFFFAOYSA-N |
| Molecular Weight | 128.127 g/mol |
| SMILES | C(OC(=O)C)(C(=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979714 |