| SpectraBase Compound ID | 3QSWMYjVReO |
|---|---|
| InChI | InChI=1S/C9H15BrO3/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2-7H2,1H3 |
| InChIKey | WNTSQJDLZIUPIY-UHFFFAOYSA-N |
| Mol Weight | 251.12 g/mol |
| Molecular Formula | C9H15BrO3 |
| Exact Mass | 250.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LeiBde5YeXf |
|---|---|
| Name | Methyl 8-bromo-3-oxooctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.020457340 u |
| Formula | C9H15BrO3 |
| InChI | InChI=1S/C9H15BrO3/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2-7H2,1H3 |
| InChIKey | WNTSQJDLZIUPIY-UHFFFAOYSA-N |
| Molecular Weight | 251.120 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCCCCBr |