| SpectraBase Compound ID | B8AhbQUrNOa |
|---|---|
| InChI | InChI=1S/C22H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3 |
| InChIKey | XBCSDHGZDJNOCK-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 | 1MubWzgeOs0 |
|---|---|
| Name | 4-Bromobutanoic acid, octadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3 |
| InChIKey | XBCSDHGZDJNOCK-UHFFFAOYSA-N |
| Molecular Weight | 419.488 g/mol |
| SMILES | C(Br)CCC(=O)OCCCCCCCCCCCCCCCCCC |