| SpectraBase Compound ID | EDSVrdEwVcF |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h5,7,9,12H,6,8H2,1-4H3/b7-5+ |
| InChIKey | LMQNNMSEZLHCKT-FNORWQNLSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HQdeocFkziS |
|---|---|
| Name | (E)-5-Isopropylnon-3-ene-2,8-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h5,7,9,12H,6,8H2,1-4H3/b7-5+ |
| InChIKey | LMQNNMSEZLHCKT-FNORWQNLSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(\C=C\C(CCC(=O)C)C(C)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975777 |