| SpectraBase Compound ID | 9Txy6TC1lI0 |
|---|---|
| InChI | InChI=1S/C9H18BrO5P/c1-9(2,10)8(11)15-6-5-7-16(12,13-3)14-4/h5-7H2,1-4H3 |
| InChIKey | CAOASSHXVSWIKX-UHFFFAOYSA-N |
| Mol Weight | 317.12 g/mol |
| Molecular Formula | C9H18BrO5P |
| Exact Mass | 316.007524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjDNcmlW9Uh |
|---|---|
| Name | Bromo methylpropanoate phosphonic ester me |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.007523673 u |
| Formula | C9H18BrO5P |
| InChI | InChI=1S/C9H18BrO5P/c1-9(2,10)8(11)15-6-5-7-16(12,13-3)14-4/h5-7H2,1-4H3 |
| InChIKey | CAOASSHXVSWIKX-UHFFFAOYSA-N |
| Molecular Weight | 317.116 g/mol |
| SMILES | C(P(=O)(OC)OC)CCOC(C(C)(C)Br)=O |