| SpectraBase Compound ID | Hiw02KFQkFf |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-10-16-12-14(17)11-15(2,19-16)18-13-16/h3-13H2,1-2H3 |
| InChIKey | PIMWQQQJSCEAQD-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6N2ODPmbOX0 |
|---|---|
| Name | 5-Methyl-1-nonyl-6,8-dioxabicyclo(3.2.1)octan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-10-16-12-14(17)11-15(2,19-16)18-13-16/h3-13H2,1-2H3 |
| InChIKey | PIMWQQQJSCEAQD-UHFFFAOYSA-N |
| SMILES | C12(CC(CC(O2)(OC1)C)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896196 |