| SpectraBase Compound ID | 2aWbLDnVITE |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-3-5-10(12)6-4-7-11(2)13-8-9-14-11/h3-9H2,1-2H3 |
| InChIKey | HBNMAXLUNLXDEM-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JBwH8DPvzZ6 |
|---|---|
| Name | 2-Methyl-2-(4-oxoheptyl)-1,3-dioxolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-3-5-10(12)6-4-7-11(2)13-8-9-14-11/h3-9H2,1-2H3 |
| InChIKey | HBNMAXLUNLXDEM-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C1(OCCO1)(CCCC(=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962492 |