| SpectraBase Compound ID | 4BdZaBjpXDE |
|---|---|
| InChI | InChI=1S/C14H25BrO2/c1-2-12-8-5-6-9-13(12)17-14(16)10-4-3-7-11-15/h12-13H,2-11H2,1H3 |
| InChIKey | LBLWUGLFBGMMEF-UHFFFAOYSA-N |
| Mol Weight | 305.26 g/mol |
| Molecular Formula | C14H25BrO2 |
| Exact Mass | 304.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Z5RxfuTJmD |
|---|---|
| Name | 6-Bromohexanoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.103793043 u |
| Formula | C14H25BrO2 |
| InChI | InChI=1S/C14H25BrO2/c1-2-12-8-5-6-9-13(12)17-14(16)10-4-3-7-11-15/h12-13H,2-11H2,1H3 |
| InChIKey | LBLWUGLFBGMMEF-UHFFFAOYSA-N |
| Molecular Weight | 305.256 g/mol |
| SMILES | C1(CCCCC1CC)OC(CCCCCBr)=O |