![2,4-Dimethyl-3-spiro[4.5]dec-1-enone](/api/spectrum/5LMSMELJZX7/structure.png?h=300&w=458 "2,4-Dimethyl-3-spiro[4.5]dec-1-enone")
| SpectraBase Compound ID | 4EDx2rwq8Ig |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9-8-12(10(2)11(9)13)6-4-3-5-7-12/h8,10H,3-7H2,1-2H3 |
| InChIKey | QOZOTCPUXWYVQN-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5LMSMELJZX7 |
|---|---|
| Name | 2,4-Dimethyl-3-spiro[4.5]dec-1-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9-8-12(10(2)11(9)13)6-4-3-5-7-12/h8,10H,3-7H2,1-2H3 |
| InChIKey | QOZOTCPUXWYVQN-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(C(C(=CC11CCCCC1)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923583 |