| SpectraBase Compound ID | GRP7APRvMjH |
|---|---|
| InChI | InChI=1S/C21H45O3P/c1-18(2)10-8-12-20(5)14-16-23-25(7,22)24-17-15-21(6)13-9-11-19(3)4/h18-21H,8-17H2,1-7H3 |
| InChIKey | PSCPBRHVLIVGAI-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C21H45O3P |
| Exact Mass | 376.310632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dMNqHytXip |
|---|---|
| Name | bis(3,7-Dimethyloctyl) methylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.310632304 u |
| Formula | C21H45O3P |
| InChI | InChI=1S/C21H45O3P/c1-18(2)10-8-12-20(5)14-16-23-25(7,22)24-17-15-21(6)13-9-11-19(3)4/h18-21H,8-17H2,1-7H3 |
| InChIKey | PSCPBRHVLIVGAI-UHFFFAOYSA-N |
| Molecular Weight | 376.562 g/mol |
| SMILES | C(CCCC(CCOP(OCCC(CCCC(C)C)C)(C)=O)C)(C)C |