| SpectraBase Compound ID | 6xwz3b95s9i |
|---|---|
| InChI | InChI=1S/C12H25BrO2/c1-12(6-9-14)7-11-15-10-5-3-2-4-8-13/h12,14H,2-11H2,1H3 |
| InChIKey | BPOLDFRUERNGKE-UHFFFAOYSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C12H25BrO2 |
| Exact Mass | 280.103793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GThGreZo7HS |
|---|---|
| Name | 12-Bromo-3-methyl-6-oxadodecan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.103793043 u |
| Formula | C12H25BrO2 |
| InChI | InChI=1S/C12H25BrO2/c1-12(6-9-14)7-11-15-10-5-3-2-4-8-13/h12,14H,2-11H2,1H3 |
| InChIKey | BPOLDFRUERNGKE-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCCOCCC(CCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901815 |