| SpectraBase Compound ID | 9ewXkoLLZfs |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-16-12-10-8-6-4-2-3-5-7-9-11(14)13(12)15/h12H,2-10H2,1H3 |
| InChIKey | LYNQOPWPOXVAKW-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 | A9Ahm33YRhU |
|---|---|
| Name | 3-Methoxycyclododecane-1,2-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/c1-16-12-10-8-6-4-2-3-5-7-9-11(14)13(12)15/h12H,2-10H2,1H3 |
| InChIKey | LYNQOPWPOXVAKW-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C1(C(C(CCCCCCCCC1)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809932 |