| SpectraBase Compound ID | 8mN4R5v2dbd |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-9(2)11(5-6-12)13-7-10(3,4)8-14-11/h9,12H,5-8H2,1-4H3 |
| InChIKey | FZZBOTQUTNHEIW-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 | oK9twxwmaH |
|---|---|
| Name | 2-Isopropyl-5,5-dimethyl-1,3-dioxane-2-ethanol |
| 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/c1-9(2)11(5-6-12)13-7-10(3,4)8-14-11/h9,12H,5-8H2,1-4H3 |
| InChIKey | FZZBOTQUTNHEIW-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C1(OCC(CO1)(C)C)(CCO)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972217 |