![3-Buten-2-one 4-[p-bromophenyl]-](/api/spectrum/5VYJ3pswVfh/structure.png?h=300&w=458 "3-Buten-2-one 4-[p-bromophenyl]-")
| SpectraBase Compound ID | EwCL5y6YxgB |
|---|---|
| InChI | InChI=1S/C10H9BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+ |
| InChIKey | ZQNVTVOTCKZKHJ-NSCUHMNNSA-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 | 5VYJ3pswVfh |
|---|---|
| Name | 3-Buten-2-one 4-[p-bromophenyl]- |
| 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)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+ |
| InChIKey | ZQNVTVOTCKZKHJ-NSCUHMNNSA-N |
| Molecular Weight | 225.085 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)\C=C\C(=O)C |