| SpectraBase Compound ID | 68QHXQS0wTC |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(5-7(2)9)8-10-3-4-11-8/h5,8H,3-4H2,1-2H3/b6-5+ |
| InChIKey | OVABVUUYLWKIKL-AATRIKPKSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DwDbVRM4XP |
|---|---|
| Name | 5,5-Ethylenedioxy-4-methyl-3-penten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(5-7(2)9)8-10-3-4-11-8/h5,8H,3-4H2,1-2H3/b6-5+ |
| InChIKey | OVABVUUYLWKIKL-AATRIKPKSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(\C=C\(C1OCCO1)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849694 |