| SpectraBase Compound ID | LgUoLuvgDEG |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h1,4-5H2,2-3H3 |
| InChIKey | QWZYCGZJKSOEPL-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OL4kASEcNH |
|---|---|
| Name | 3-Methylene-2,6-heptanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h1,4-5H2,2-3H3 |
| InChIKey | QWZYCGZJKSOEPL-UHFFFAOYSA-N |
| SMILES | C(=O)(C)CC(=C)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975042 |