| SpectraBase Compound ID | HL4Whf7PW0P |
|---|---|
| InChI | InChI=1S/C6H11BrO2/c1-5-2-3-8-6(4-7)9-5/h5-6H,2-4H2,1H3 |
| InChIKey | FMFDZPVUMPGTHI-UHFFFAOYSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C6H11BrO2 |
| Exact Mass | 193.994243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K9boye589Pw |
|---|---|
| Name | 1,3-Dioxane, 2-(bromomethyl)-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.994242592 u |
| Formula | C6H11BrO2 |
| InChI | InChI=1S/C6H11BrO2/c1-5-2-3-8-6(4-7)9-5/h5-6H,2-4H2,1H3 |
| InChIKey | FMFDZPVUMPGTHI-UHFFFAOYSA-N |
| Molecular Weight | 195.056 g/mol |
| SMILES | C1OC(OC(C1)C)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.947203 |