![2-[1'-Bromo-5-hydroxy-3'-oxapentyl]-1,3-dioxolane](/api/spectrum/7yU0zC4zOhD/structure.png?h=300&w=458 "2-[1'-Bromo-5-hydroxy-3'-oxapentyl]-1,3-dioxolane")
| SpectraBase Compound ID | DuYBFDy8TSK |
|---|---|
| InChI | InChI=1S/C7H13BrO4/c8-6(5-10-2-1-9)7-11-3-4-12-7/h6-7,9H,1-5H2 |
| InChIKey | IOELGVKWNOZZRJ-UHFFFAOYSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C7H13BrO4 |
| Exact Mass | 239.999722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7yU0zC4zOhD |
|---|---|
| Name | 2-[1'-Bromo-5-hydroxy-3'-oxapentyl]-1,3-dioxolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.999721895 u |
| Formula | C7H13BrO4 |
| InChI | InChI=1S/C7H13BrO4/c8-6(5-10-2-1-9)7-11-3-4-12-7/h6-7,9H,1-5H2 |
| InChIKey | IOELGVKWNOZZRJ-UHFFFAOYSA-N |
| Molecular Weight | 241.081 g/mol |
| SMILES | C1(C(Br)COCCO)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943333 |