| SpectraBase Compound ID | 4M71bzvW9bX |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)8-10-5-9(3,4)6-11-8/h8H,1,5-6H2,2-4H3 |
| InChIKey | QFGMCYCNZQIDPU-UHFFFAOYSA-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 | CFDBKfxSqWz |
|---|---|
| Name | 1,3-Dioxane, 5,5-dimethyl-2-(1-methylethenyl)- |
| 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/c1-7(2)8-10-5-9(3,4)6-11-8/h8H,1,5-6H2,2-4H3 |
| InChIKey | QFGMCYCNZQIDPU-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C1OCC(C)(CO1)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816778 |