| SpectraBase Compound ID | JRjQUCQnAPP |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3 |
| InChIKey | MLSVZZQOVPGKRQ-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkdyxJURkR8 |
|---|---|
| Name | 2,5-Cyclohexadiene-1,4-dione, 2,6-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4H2,1-2H3 |
| InChIKey | MLSVZZQOVPGKRQ-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C=1(C(C(CC)=CC(C1)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92181 |