| SpectraBase Compound ID | Iu1H1QQPP40 |
|---|---|
| InChI | InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8) |
| InChIKey | QQZJWQCLWOQDQV-UHFFFAOYSA-N |
| Mol Weight | 245.9 g/mol |
| Molecular Formula | C4H6Br2O2 |
| Exact Mass | 243.873455 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5sqhI3rpgCO |
|---|---|
| Name | 3-Bromo-2-(bromomethyl)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.873455431 u |
| Formula | C4H6Br2O2 |
| InChI | InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8) |
| InChIKey | QQZJWQCLWOQDQV-UHFFFAOYSA-N |
| Molecular Weight | 245.898 g/mol |
| SMILES | C(Br)C(C(=O)O)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.956936 |