| SpectraBase Compound ID | HccgbaZ4Bye |
|---|---|
| InChI | InChI=1S/C12H14Br2O/c1-2-3-9-12(13,14)11(15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | KBOVHOLDOUKSBP-UHFFFAOYSA-N |
| Mol Weight | 334.05 g/mol |
| Molecular Formula | C12H14Br2O |
| Exact Mass | 331.941141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BePoJ4HTeNc |
|---|---|
| Name | 2,2-Dibromo-1-phenylhexan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.941141070 u |
| Formula | C12H14Br2O |
| InChI | InChI=1S/C12H14Br2O/c1-2-3-9-12(13,14)11(15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | KBOVHOLDOUKSBP-UHFFFAOYSA-N |
| Molecular Weight | 334.051 g/mol |
| SMILES | C(C(C=1C=CC=CC1)=O)(CCCC)(Br)Br |