| SpectraBase Compound ID | 1E1WMc1enwH |
|---|---|
| InChI | InChI=1S/C15H27BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h9-10H,2-8,11-14H2,1H3/b10-9+ |
| InChIKey | QBCPDDNDBOJMNN-MDZDMXLPSA-N |
| Mol Weight | 319.28 g/mol |
| Molecular Formula | C15H27BrO2 |
| Exact Mass | 318.119443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUge1CL3xIy |
|---|---|
| Name | 4-Bromobutanoic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.119443107 u |
| Formula | C15H27BrO2 |
| InChI | InChI=1S/C15H27BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h9-10H,2-8,11-14H2,1H3/b10-9+ |
| InChIKey | QBCPDDNDBOJMNN-MDZDMXLPSA-N |
| Molecular Weight | 319.283 g/mol |
| SMILES | C(CCC(=O)OC\C=C\CCCCCCCC)Br |