![1-[2-Bromanyl-2-(bromomethyl)-3-methoxy-propoxy]hexadecane](/api/spectrum/LLOQGQCMDKN/structure.png?h=300&w=458 "1-[2-Bromanyl-2-(bromomethyl)-3-methoxy-propoxy]hexadecane")
| SpectraBase Compound ID | 8i931XkoXy5 |
|---|---|
| InChI | InChI=1S/C21H42Br2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-21(23,18-22)19-24-2/h3-20H2,1-2H3 |
| InChIKey | RIAFVVMKSXLZMK-UHFFFAOYSA-N |
| Mol Weight | 486.4 g/mol |
| Molecular Formula | C21H42Br2O2 |
| Exact Mass | 484.155157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLOQGQCMDKN |
|---|---|
| Name | 1-[2-Bromanyl-2-(bromomethyl)-3-methoxy-propoxy]hexadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.155156590 u |
| Formula | C21H42Br2O2 |
| InChI | InChI=1S/C21H42Br2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-21(23,18-22)19-24-2/h3-20H2,1-2H3 |
| InChIKey | RIAFVVMKSXLZMK-UHFFFAOYSA-N |
| Molecular Weight | 486.373 g/mol |
| SMILES | C(Br)(CBr)(COC)COCCCCCCCCCCCCCCCC |