| SpectraBase Compound ID | K6PzgaYY2ai |
|---|---|
| InChI | InChI=1S/C8H8F6O5/c9-7(10,11)5(16)18-2-1-4(3-15)19-6(17)8(12,13)14/h4,15H,1-3H2 |
| InChIKey | SFPBHDIELIHYRT-UHFFFAOYSA-N |
| Mol Weight | 298.14 g/mol |
| Molecular Formula | C8H8F6O5 |
| Exact Mass | 298.027592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPofIZkqPAY |
|---|---|
| Name | (S)-(-)-1,2,4-butanetriol, 2,4-di(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.027592331 u |
| Formula | C8H8F6O5 |
| InChI | InChI=1S/C8H8F6O5/c9-7(10,11)5(16)18-2-1-4(3-15)19-6(17)8(12,13)14/h4,15H,1-3H2 |
| InChIKey | SFPBHDIELIHYRT-UHFFFAOYSA-N |
| Molecular Weight | 298.137 g/mol |
| SMILES | C(O)C(CCOC(C(F)(F)F)=O)OC(C(F)(F)F)=O |