| SpectraBase Compound ID | B5QzXg3iSIF |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-2-3-4-5-7-6-8(10)9(11)12-7/h5-6H,2-4H2,1H3/b7-5- |
| InChIKey | GDXHKJVNETXQKK-ALCCZGGFSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C9H11BrO2 |
| Exact Mass | 229.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GCv5lFS3EQ |
|---|---|
| Name | (Z)-3-Bromo-5-pentylidene-5H-furan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.994242592 u |
| Formula | C9H11BrO2 |
| InChI | InChI=1S/C9H11BrO2/c1-2-3-4-5-7-6-8(10)9(11)12-7/h5-6H,2-4H2,1H3/b7-5- |
| InChIKey | GDXHKJVNETXQKK-ALCCZGGFSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C1(C(=C\C(O1)=C\CCCC)Br)=O |