| SpectraBase Compound ID | FYhWiqpbQsq |
|---|---|
| InChI | InChI=1S/C17H17BrO/c1-12(2)11-17(19)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,12H,11H2,1-2H3 |
| InChIKey | NGYULPJYCFQRRZ-UHFFFAOYSA-N |
| Mol Weight | 317.23 g/mol |
| Molecular Formula | C17H17BrO |
| Exact Mass | 316.046278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI3IanHgKvt |
|---|---|
| Name | 4-(1-oxo-3-Methylbutyl)-4'-bromobiphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.046278166 u |
| Formula | C17H17BrO |
| InChI | InChI=1S/C17H17BrO/c1-12(2)11-17(19)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,12H,11H2,1-2H3 |
| InChIKey | NGYULPJYCFQRRZ-UHFFFAOYSA-N |
| Molecular Weight | 317.226 g/mol |
| SMILES | C(c1ccc(cc1)-c1ccc(cc1)Br)(CC(C)C)=O |