| SpectraBase Compound ID | BOGLnf7PY5L |
|---|---|
| InChI | InChI=1S/C8H6F3O4P/c9-8(10,11)5-13-16(12)14-6-3-1-2-4-7(6)15-16/h1-4H,5H2 |
| InChIKey | VFPTVGKLRMDGGF-UHFFFAOYSA-N |
| Mol Weight | 254.1 g/mol |
| Molecular Formula | C8H6F3O4P |
| Exact Mass | 253.99558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByxqfLhmv2o |
|---|---|
| Name | 2-(2,2,2-Trifluoroethoxy)-2-oxo-4,5-benzo-1,3,2-dioxaphospholane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.995580156 u |
| Formula | C8H6F3O4P |
| InChI | InChI=1S/C8H6F3O4P/c9-8(10,11)5-13-16(12)14-6-3-1-2-4-7(6)15-16/h1-4H,5H2 |
| InChIKey | VFPTVGKLRMDGGF-UHFFFAOYSA-N |
| Molecular Weight | 254.101 g/mol |
| SMILES | c1c2c(OP(O2)(=O)OCC(F)(F)F)ccc1 |