| SpectraBase Compound ID | 57yWUVF0qn8 |
|---|---|
| InChI | InChI=1S/C21H36BrO3P/c1-3-5-7-8-9-10-11-12-13-18-24-26(23,19-6-4-2)25-21-16-14-20(22)15-17-21/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | COWCUTPFLOAIJV-UHFFFAOYSA-N |
| Mol Weight | 447.4 g/mol |
| Molecular Formula | C21H36BrO3P |
| Exact Mass | 446.158545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBcyARIdtp8 |
|---|---|
| Name | Butylphosphonic acid, 4-bromophenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.158545014 u |
| Formula | C21H36BrO3P |
| InChI | InChI=1S/C21H36BrO3P/c1-3-5-7-8-9-10-11-12-13-18-24-26(23,19-6-4-2)25-21-16-14-20(22)15-17-21/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | COWCUTPFLOAIJV-UHFFFAOYSA-N |
| Molecular Weight | 447.394 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)OP(CCCC)(=O)OCCCCCCCCCCC |