| SpectraBase Compound ID | 7fmBLEK08a0 |
|---|---|
| InChI | InChI=1S/C13H18BrO4P/c1-3-17-19(16,18-4-2)10-9-13(15)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LPULRAKOBSMSBJ-UHFFFAOYSA-N |
| Mol Weight | 349.16 g/mol |
| Molecular Formula | C13H18BrO4P |
| Exact Mass | 348.012609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RU3f35Q9G9 |
|---|---|
| Name | 2-(p-Bromoobenzoyl)-1-(diethylphosphonate)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.012609054 u |
| Formula | C13H18BrO4P |
| InChI | InChI=1S/C13H18BrO4P/c1-3-17-19(16,18-4-2)10-9-13(15)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LPULRAKOBSMSBJ-UHFFFAOYSA-N |
| Molecular Weight | 349.161 g/mol |
| SMILES | C(P(=O)(OCC)OCC)CC(C1=CC=C(C=C1)Br)=O |