![2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]butanoic acid methyl ester](/api/spectrum/nkUXDldtUs/structure.png?h=300&w=458 "2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]butanoic acid methyl ester")
| SpectraBase Compound ID | GQ8vRTpDpw5 |
|---|---|
| InChI | InChI=1S/C9H13F6O5P/c1-3-6(7(16)18-2)21(17,19-4-8(10,11)12)20-5-9(13,14)15/h6H,3-5H2,1-2H3 |
| InChIKey | IOEQJBCKDSOHGO-UHFFFAOYSA-N |
| Mol Weight | 346.16 g/mol |
| Molecular Formula | C9H13F6O5P |
| Exact Mass | 346.040479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nkUXDldtUs |
|---|---|
| Name | 2-[bis(2,2,2-Trifluoroethoxy)phosphoryl]butanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.040479490 u |
| Formula | C9H13F6O5P |
| InChI | InChI=1S/C9H13F6O5P/c1-3-6(7(16)18-2)21(17,19-4-8(10,11)12)20-5-9(13,14)15/h6H,3-5H2,1-2H3 |
| InChIKey | IOEQJBCKDSOHGO-UHFFFAOYSA-N |
| Molecular Weight | 346.162 g/mol |
| SMILES | C(P(OCC(F)(F)F)(OCC(F)(F)F)=O)(C(=O)OC)CC |