| SpectraBase Compound ID | IWxyWcCfZHZ |
|---|---|
| InChI | InChI=1S/C9H13BrO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h7H,1-6H2 |
| InChIKey | YRAKIBFCASFDLH-UHFFFAOYSA-N |
| Mol Weight | 249.1 g/mol |
| Molecular Formula | C9H13BrO3 |
| Exact Mass | 248.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vR7Z4PKSDI |
|---|---|
| Name | 2-Carb-(2-bromoethoxy)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.004807276 u |
| Formula | C9H13BrO3 |
| InChI | InChI=1S/C9H13BrO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h7H,1-6H2 |
| InChIKey | YRAKIBFCASFDLH-UHFFFAOYSA-N |
| Molecular Weight | 249.104 g/mol |
| SMILES | C1(C(=O)OCCBr)C(=O)CCCC1 |