| SpectraBase Compound ID | I9DXCkE8JhI |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-4-6-7-10(8-9(3)12)11(13)5-2/h7H,4-6,8H2,1-3H3/b10-7+ |
| InChIKey | ZSVLHWQOTMMFAN-JXMROGBWSA-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 | JKE0V7CNNlZ |
|---|---|
| Name | (4E)-4-Butylideneheptane-2,5-dione |
| 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/c1-4-6-7-10(8-9(3)12)11(13)5-2/h7H,4-6,8H2,1-3H3/b10-7+ |
| InChIKey | ZSVLHWQOTMMFAN-JXMROGBWSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(\C(CC(=O)C)=C\CCC)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965773 |