| SpectraBase Compound ID | 1lhwQconij0 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | JWBLHPVQAOSXRF-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LpcupmW6jLl |
|---|---|
| Name | 5,6-Decanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | JWBLHPVQAOSXRF-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C(CCCC)=O)(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883513 |