| SpectraBase Compound ID | KzY09943863 |
|---|---|
| InChI | InChI=1S/C6H11BrO2/c1-5-3-8-6(2-7)9-4-5/h5-6H,2-4H2,1H3/t5-,6- |
| InChIKey | QVLXORSDZDDNGK-IZLXSQMJSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C6H11BrO2 |
| Exact Mass | 193.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5be8uZIJHpH |
|---|---|
| Name | Trans-2-bromomethyl-5-methyl-1,3-dioxane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.994242592 u |
| Formula | C6H11BrO2 |
| InChI | InChI=1S/C6H11BrO2/c1-5-3-8-6(2-7)9-4-5/h5-6H,2-4H2,1H3/t5-,6- |
| InChIKey | QVLXORSDZDDNGK-IZLXSQMJSA-N |
| Molecular Weight | 195.056 g/mol |
| SMILES | [C@]1(OC[C@@](CO1)(C)[H])(CBr)[H] |