| SpectraBase Compound ID | Kl4yXM1q1uY |
|---|---|
| InChI | InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3 |
| InChIKey | CZRWOPRGDPUSDE-UHFFFAOYSA-N |
| Mol Weight | 195.01 g/mol |
| Molecular Formula | C5H7BrO3 |
| Exact Mass | 193.957857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILWjjLS38IB |
|---|---|
| Name | Butanoic acid, 4-bromo-3-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.957857082 u |
| Formula | C5H7BrO3 |
| InChI | InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3 |
| InChIKey | CZRWOPRGDPUSDE-UHFFFAOYSA-N |
| Molecular Weight | 195.012 g/mol |
| SMILES | C(Br)C(CC(OC)=O)=O |