![4,6-Dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane](/api/spectrum/GzDBGMi8x5K/structure.png?h=300&w=458 "4,6-Dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane")
| SpectraBase Compound ID | LxQmhvjtPXx |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-5-9-10-7(2)6-8(3)11-9/h4-5,7-9H,6H2,1-3H3/b5-4+ |
| InChIKey | JHYAJQBLJIRIKQ-SNAWJCMRSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GzDBGMi8x5K |
|---|---|
| Name | 4,6-Dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-4-5-9-10-7(2)6-8(3)11-9/h4-5,7-9H,6H2,1-3H3/b5-4+ |
| InChIKey | JHYAJQBLJIRIKQ-SNAWJCMRSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1(OC(C)CC(O1)C)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856223 |