| SpectraBase Compound ID | LXZmVFjYcOQ |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-2-3-11(14)8-12(15)9-4-6-10(13)7-5-9/h2,4-7,12,15H,1,3,8H2 |
| InChIKey | RDFOFXBWSUJQLH-UHFFFAOYSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3D4aU7yc2O |
|---|---|
| Name | 1-(4-Bromophenyl)-1-hydroxyhex-5-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.009892657 u |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c1-2-3-11(14)8-12(15)9-4-6-10(13)7-5-9/h2,4-7,12,15H,1,3,8H2 |
| InChIKey | RDFOFXBWSUJQLH-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=CC(=CC1)Br)O)C(=O)CC=C |