| SpectraBase Compound ID | 5QwdsNEvVIs |
|---|---|
| InChI | InChI=1S/C12H20O3/c13-11-7-5-3-1-2-4-6-10-15-12(14)9-8-11/h1-10H2 |
| InChIKey | LAYYLEBMGXQSKE-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3jqULExhf6O |
|---|---|
| Name | 4-oxo-12-Dodecanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c13-11-7-5-3-1-2-4-6-10-15-12(14)9-8-11/h1-10H2 |
| InChIKey | LAYYLEBMGXQSKE-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(OCCCCCCCCC(CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845895 |