| SpectraBase Compound ID | HOgewJq7tDF |
|---|---|
| InChI | InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2 |
| InChIKey | LMOOYAKLEOGKJR-UHFFFAOYSA-N |
| Mol Weight | 179.06 g/mol |
| Molecular Formula | C6H11BrO |
| Exact Mass | 177.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3qxVJDFocMq |
|---|---|
| Name | 4-(Bromomethyl)tetrahydropyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.999327973 u |
| Formula | C6H11BrO |
| InChI | InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2 |
| InChIKey | LMOOYAKLEOGKJR-UHFFFAOYSA-N |
| Molecular Weight | 179.057 g/mol |
| SMILES | C1COCCC1CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902535 |