| SpectraBase Compound ID | 5QIFcFLqXEB |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,6-7H2,1-5H3 |
| InChIKey | MIRROKWMSAODOR-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KdEBFFs1S2u |
|---|---|
| Name | 2,6-Heptanedione, 3-methyl-3-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,6-7H2,1-5H3 |
| InChIKey | MIRROKWMSAODOR-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(CCC(C)=O)(C(C)C)(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963511 |