| SpectraBase Compound ID | HKVpNIj4mW4 |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-6(9)3-4-8(11)5-12-7(2)10/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | JMZGAJRBLAOXCD-ONEGZZNKSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWWV24ry0d5 |
|---|---|
| Name | 2,5-Dioxohex-3-enyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-6(9)3-4-8(11)5-12-7(2)10/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | JMZGAJRBLAOXCD-ONEGZZNKSA-N |
| SMILES | C(\C=C\C(=O)COC(=O)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949372 |