| SpectraBase Compound ID | 8xCAm07S80h |
|---|---|
| InChI | InChI=1S/C10H9BrO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
| InChIKey | YSDOSGXTLQTTDC-JXMROGBWSA-N |
| Mol Weight | 225.08 g/mol |
| Molecular Formula | C10H9BrO |
| Exact Mass | 223.983678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kcf8yNVMI7h |
|---|---|
| Name | (E)-3-Bromo-4-phenylbut-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.983677909 u |
| Formula | C10H9BrO |
| InChI | InChI=1S/C10H9BrO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
| InChIKey | YSDOSGXTLQTTDC-JXMROGBWSA-N |
| Molecular Weight | 225.085 g/mol |
| SMILES | C1(\C=C/(C(=O)C)Br)=CC=CC=C1 |