| SpectraBase Compound ID | BX0wTUTZgqi |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-7(2)8(3)6-11(9(4)12)10(5)13/h6-7,11H,1-5H3/b8-6+ |
| InChIKey | BREVYXLTFQSJMM-SOFGYWHQSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9xzl9fxatDk |
|---|---|
| Name | 2,4-Pentanedione, 3-(2,3-dimethyl-1-butenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-7(2)8(3)6-11(9(4)12)10(5)13/h6-7,11H,1-5H3/b8-6+ |
| InChIKey | BREVYXLTFQSJMM-SOFGYWHQSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(\C=C\(C(C)C)C)(C(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981184 |