| SpectraBase Compound ID | JBehxHabk9N |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-2-3-4-5-11-8-10(12)6-7-13-9-14-11/h10-12H,2-9H2,1H3 |
| InChIKey | CJKLLOOIIDENJA-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4CrIU045pdY |
|---|---|
| Name | 1,3-Dihydroxy-5-methoxy-5-decanon-1,5-cycloacetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-2-3-4-5-11-8-10(12)6-7-13-9-14-11/h10-12H,2-9H2,1H3 |
| InChIKey | CJKLLOOIIDENJA-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C1OC(CC(CCO1)O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925991 |