| SpectraBase Compound ID | AJvywxqIcAw |
|---|---|
| InChI | InChI=1S/C10H12O5/c1-5(11)9(6(2)12)10(7(3)13)15-8(4)14/h1-4H3 |
| InChIKey | YVSKJJKQGSVWMN-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C10H12O5 |
| Exact Mass | 212.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQZl4ctTnmq |
|---|---|
| Name | 3-Acetoxy-4-acetyl-3-hexene-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.068473481 u |
| Formula | C10H12O5 |
| InChI | InChI=1S/C10H12O5/c1-5(11)9(6(2)12)10(7(3)13)15-8(4)14/h1-4H3 |
| InChIKey | YVSKJJKQGSVWMN-UHFFFAOYSA-N |
| Molecular Weight | 212.201 g/mol |
| SMILES | C(=C(OC(=O)C)C(=O)C)(C(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966174 |