| SpectraBase Compound ID | LVackvYuYL8 |
|---|---|
| InChI | InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3 |
| InChIKey | ODZZAIFAQLODKN-UHFFFAOYSA-N |
| Mol Weight | 183.04 g/mol |
| Molecular Formula | C5H11BrO2 |
| Exact Mass | 181.994243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1cp8J2vABPP |
|---|---|
| Name | 3-Bromopropionaldehyde dimethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.994242592 u |
| Formula | C5H11BrO2 |
| InChI | InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3 |
| InChIKey | ODZZAIFAQLODKN-UHFFFAOYSA-N |
| Molecular Weight | 183.045 g/mol |
| SMILES | COC(CCBr)OC |
| Spectrum/Structure Validation Score (Raman) | 0.960188 |