| SpectraBase Compound ID | 2rR8dA7hSYk |
|---|---|
| InChI | InChI=1S/C12H23BrO/c1-2-3-4-5-12(6-9-13)7-10-14-11-8-12/h2-11H2,1H3 |
| InChIKey | UAYNSZOIJYOCNF-UHFFFAOYSA-N |
| Mol Weight | 263.22 g/mol |
| Molecular Formula | C12H23BrO |
| Exact Mass | 262.093228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18mier7btyh |
|---|---|
| Name | 4-(2-Bromoethyl)-4-pentyl-oxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.093228360 u |
| Formula | C12H23BrO |
| InChI | InChI=1S/C12H23BrO/c1-2-3-4-5-12(6-9-13)7-10-14-11-8-12/h2-11H2,1H3 |
| InChIKey | UAYNSZOIJYOCNF-UHFFFAOYSA-N |
| Molecular Weight | 263.219 g/mol |
| SMILES | C1(CCBr)(CCCCC)CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807911 |