| SpectraBase Compound ID | Ctcj9NpHD56 |
|---|---|
| InChI | InChI=1S/C3H4BrClO2/c1-3(4,5)2(6)7/h1H3,(H,6,7) |
| InChIKey | DQCULHMEDFODNL-UHFFFAOYSA-N |
| Mol Weight | 187.42 g/mol |
| Molecular Formula | C3H4BrClO2 |
| Exact Mass | 185.90832 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BGzppTjazpK |
|---|---|
| Name | Propanoic acid, 2-bromo-2-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.908320067 u |
| Formula | C3H4BrClO2 |
| InChI | InChI=1S/C3H4BrClO2/c1-3(4,5)2(6)7/h1H3,(H,6,7) |
| InChIKey | DQCULHMEDFODNL-UHFFFAOYSA-N |
| SMILES | OC(C(Cl)(C)Br)=O |
| Spectrum/Structure Validation Score (Raman) | 0.94097 |