| SpectraBase Compound ID | B1AChLlbD8D |
|---|---|
| InChI | InChI=1S/C15H21BrO/c1-7-13(16)15(17)14-11(5)9(3)8(2)10(4)12(14)6/h13H,7H2,1-6H3 |
| InChIKey | AWCYSCWIKAENOF-UHFFFAOYSA-N |
| Mol Weight | 297.24 g/mol |
| Molecular Formula | C15H21BrO |
| Exact Mass | 296.077578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67jhtDSWIXj |
|---|---|
| Name | 2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.077578295 u |
| Formula | C15H21BrO |
| InChI | InChI=1S/C15H21BrO/c1-7-13(16)15(17)14-11(5)9(3)8(2)10(4)12(14)6/h13H,7H2,1-6H3 |
| InChIKey | AWCYSCWIKAENOF-UHFFFAOYSA-N |
| Molecular Weight | 297.236 g/mol |
| SMILES | C=1(C(=C(C)C(=C(C1C)C)C)C)C(=O)C(Br)CC |