| SpectraBase Compound ID | AKQUdAXFNSD |
|---|---|
| InChI | InChI=1S/C11H18O3/c12-10-6-2-1-3-8-11(13)14-9-5-4-7-10/h1-9H2 |
| InChIKey | UXXMYQVAUQQYNE-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IS5f9YoOhSF |
|---|---|
| Name | 1-Oxacyclododecan-2,8-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c12-10-6-2-1-3-8-11(13)14-9-5-4-7-10/h1-9H2 |
| InChIKey | UXXMYQVAUQQYNE-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C1(=O)OCCCCC(CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876478 |