| SpectraBase Compound ID | 5h6NPZb4UXY |
|---|---|
| InChI | InChI=1S/C22H43BrO2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)25-22(24)19-15-13-16-20-23/h21H,3-20H2,1-2H3 |
| InChIKey | XXMUXYFPAPTIHD-UHFFFAOYSA-N |
| Mol Weight | 419.5 g/mol |
| Molecular Formula | C22H43BrO2 |
| Exact Mass | 418.244644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EMlngc5tew |
|---|---|
| Name | 6-Bromohexanoic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.244643623 u |
| Formula | C22H43BrO2 |
| InChI | InChI=1S/C22H43BrO2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)25-22(24)19-15-13-16-20-23/h21H,3-20H2,1-2H3 |
| InChIKey | XXMUXYFPAPTIHD-UHFFFAOYSA-N |
| Molecular Weight | 419.488 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)CCCCCBr |