| SpectraBase Compound ID | 8HwXEdaAiAZ |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | LRQPBWGHPPMRQW-GQCTYLIASA-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 | 5DsnNMluf2d |
|---|---|
| Name | 3-Methylhept-3-ene-2,6-dione |
| 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(8(3)10)4-5-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | LRQPBWGHPPMRQW-GQCTYLIASA-N |
| SMILES | CC(\C(=C\CC(C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923178 |