| SpectraBase Compound ID | 8pic82ANbZs |
|---|---|
| InChI | InChI=1S/C17H31BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h9,13H,2-8,10-12,14-16H2,1H3/b13-9+ |
| InChIKey | FXIDHPHTLPRIER-UKTHLTGXSA-N |
| Mol Weight | 347.34 g/mol |
| Molecular Formula | C17H31BrO2 |
| Exact Mass | 346.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Id4ogO5g3rp |
|---|---|
| Name | 6-Bromohexanoic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.150743236 u |
| Formula | C17H31BrO2 |
| InChI | InChI=1S/C17H31BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h9,13H,2-8,10-12,14-16H2,1H3/b13-9+ |
| InChIKey | FXIDHPHTLPRIER-UKTHLTGXSA-N |
| Molecular Weight | 347.337 g/mol |
| SMILES | C(CCCCC(=O)OC\C=C\CCCCCCCC)Br |