| SpectraBase Compound ID | 2qRiixEScpe |
|---|---|
| InChI | InChI=1S/C17H23BrO/c1-11(2)14-9-8-12(3)15(17(14)19)10-13-6-4-5-7-16(13)18/h4-7,11-12,14-15H,8-10H2,1-3H3 |
| InChIKey | COLUHBYLYCTRTR-UHFFFAOYSA-N |
| Mol Weight | 323.27 g/mol |
| Molecular Formula | C17H23BrO |
| Exact Mass | 322.093228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxH6d8pudTO |
|---|---|
| Name | 2-(2-Bromobenzyl)-3-methyl-6-isopropylcyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.093228360 u |
| Formula | C17H23BrO |
| InChI | InChI=1S/C17H23BrO/c1-11(2)14-9-8-12(3)15(17(14)19)10-13-6-4-5-7-16(13)18/h4-7,11-12,14-15H,8-10H2,1-3H3 |
| InChIKey | COLUHBYLYCTRTR-UHFFFAOYSA-N |
| Molecular Weight | 323.274 g/mol |
| SMILES | C1(C(C(CCC1C(C)C)C)CC=1C(=CC=CC1)Br)=O |