![2-[4-(2-Bromoethoxy)benzyl]cyclohexanone](/api/spectrum/HdUlxObp3vA/structure.png?h=300&w=458 "2-[4-(2-Bromoethoxy)benzyl]cyclohexanone")
| SpectraBase Compound ID | CPiChk8OG1O |
|---|---|
| InChI | InChI=1S/C15H19BrO2/c16-9-10-18-14-7-5-12(6-8-14)11-13-3-1-2-4-15(13)17/h5-8,13H,1-4,9-11H2 |
| InChIKey | KORXEMHGFJYWFG-UHFFFAOYSA-N |
| Mol Weight | 311.22 g/mol |
| Molecular Formula | C15H19BrO2 |
| Exact Mass | 310.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdUlxObp3vA |
|---|---|
| Name | 2-[4-(2-Bromoethoxy)benzyl]cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.056842850 u |
| Formula | C15H19BrO2 |
| InChI | InChI=1S/C15H19BrO2/c16-9-10-18-14-7-5-12(6-8-14)11-13-3-1-2-4-15(13)17/h5-8,13H,1-4,9-11H2 |
| InChIKey | KORXEMHGFJYWFG-UHFFFAOYSA-N |
| Molecular Weight | 311.219 g/mol |
| SMILES | C1(C(CC2=CC=C(C=C2)OCCBr)CCCC1)=O |