| SpectraBase Compound ID | 89X19RT7Eni |
|---|---|
| InChI | InChI=1S/C13H23BrO2/c1-2-11-7-3-4-8-12(11)16-13(15)9-5-6-10-14/h11-12H,2-10H2,1H3 |
| InChIKey | XZWFNWWORSWJBJ-UHFFFAOYSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C13H23BrO2 |
| Exact Mass | 290.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wbpmA0vC9x |
|---|---|
| Name | 5-Bromopentanoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.088142979 u |
| Formula | C13H23BrO2 |
| InChI | InChI=1S/C13H23BrO2/c1-2-11-7-3-4-8-12(11)16-13(15)9-5-6-10-14/h11-12H,2-10H2,1H3 |
| InChIKey | XZWFNWWORSWJBJ-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1CC)OC(CCCCBr)=O |