| SpectraBase Compound ID | HCh1Sk1lMF8 |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3 |
| InChIKey | XYZAPOXYXNIBEU-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4MnZvCQCwko |
|---|---|
| Name | 4,5-Octanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3 |
| InChIKey | XYZAPOXYXNIBEU-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(CCC)=O)(CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860862 |