| SpectraBase Compound ID | AvQR1wrFaQ8 |
|---|---|
| InChI | InChI=1S/C7H11BrO3/c1-7(6(9)2-8)3-10-5-11-4-7/h2-5H2,1H3 |
| InChIKey | DLZMKFHWMPJFLE-UHFFFAOYSA-N |
| Mol Weight | 223.07 g/mol |
| Molecular Formula | C7H11BrO3 |
| Exact Mass | 221.989157 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2NhnENiRDuK |
|---|---|
| Name | Ethanone, 2-bromo-1-(5-methyl-1,3-dioxan-5-yl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.989157211 u |
| Formula | C7H11BrO3 |
| InChI | InChI=1S/C7H11BrO3/c1-7(6(9)2-8)3-10-5-11-4-7/h2-5H2,1H3 |
| InChIKey | DLZMKFHWMPJFLE-UHFFFAOYSA-N |
| Molecular Weight | 223.066 g/mol |
| SMILES | C1OCOCC1(C(CBr)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.93399 |