| SpectraBase Compound ID | e81PT1O2GA |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-3-5-7-11-9-12(8-6-4-2)14-10-13-11/h11-12H,3-10H2,1-2H3 |
| InChIKey | UCPAZYFDPOUDHP-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K48ErK8Ny1y |
|---|---|
| Name | m-Dioxane, 4,6-dibutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-3-5-7-11-9-12(8-6-4-2)14-10-13-11/h11-12H,3-10H2,1-2H3 |
| InChIKey | UCPAZYFDPOUDHP-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | C(CC1CC(CCCC)OCO1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931222 |