| SpectraBase Compound ID | LgpdefrDnM5 |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-4-7-12(14-8-9-15-12)10(5-2)11(13)6-3/h10H,4-9H2,1-3H3 |
| InChIKey | MBBWWWAPHOUEAV-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GrNat0VH0iK |
|---|---|
| Name | 4-Ethyl-5,5-(ethylenedioxy)octane-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-4-7-12(14-8-9-15-12)10(5-2)11(13)6-3/h10H,4-9H2,1-3H3 |
| InChIKey | MBBWWWAPHOUEAV-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | CCC(C(C1(CCC)OCCO1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979305 |