| SpectraBase Compound ID | 2AHeAlSe82H |
|---|---|
| InChI | InChI=1S/C11H13F5O6/c1-9(2)20-4-5(22-9)6(7(17)19-3)21-8(18)10(12,13)11(14,15)16/h5-6H,4H2,1-3H3 |
| InChIKey | WLYZJXRFMKLTAT-UHFFFAOYSA-N |
| Mol Weight | 336.21 g/mol |
| Molecular Formula | C11H13F5O6 |
| Exact Mass | 336.063229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcEIwi0tMkC |
|---|---|
| Name | Methyl 3,4-o-isopropylidene-L-threonate, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.063228948 u |
| Formula | C11H13F5O6 |
| InChI | InChI=1S/C11H13F5O6/c1-9(2)20-4-5(22-9)6(7(17)19-3)21-8(18)10(12,13)11(14,15)16/h5-6H,4H2,1-3H3 |
| InChIKey | WLYZJXRFMKLTAT-UHFFFAOYSA-N |
| Molecular Weight | 336.211 g/mol |
| SMILES | C1(OC(C(C(=O)OC)OC(C(C(F)(F)F)(F)F)=O)CO1)(C)C |