| SpectraBase Compound ID | Ly1An4jtbGC |
|---|---|
| InChI | InChI=1S/C13H22O3/c14-12-8-4-2-1-3-5-10-13(15)16-11-7-6-9-12/h1-11H2 |
| InChIKey | SWGRTYNLQIASNY-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXcOHdYVkPz |
|---|---|
| Name | Oxacyclotetradecane-2,10-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c14-12-8-4-2-1-3-5-10-13(15)16-11-7-6-9-12/h1-11H2 |
| InChIKey | SWGRTYNLQIASNY-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C1(OCCCCC(=O)CCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844676 |