| SpectraBase Compound ID | CTrirrxlwR0 |
|---|---|
| InChI | InChI=1S/C13H6F10O4/c14-10(15,12(18,19)20)8(24)26-5-6-3-1-2-4-7(6)27-9(25)11(16,17)13(21,22)23/h1-4H,5H2 |
| InChIKey | NJMGLCMOCKABEQ-UHFFFAOYSA-N |
| Mol Weight | 416.17 g/mol |
| Molecular Formula | C13H6F10O4 |
| Exact Mass | 416.01064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSwnQQxXJS4 |
|---|---|
| Name | 2-Hydroxybenzyl alcohol, bis(pentafluoropropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.010640299 u |
| Formula | C13H6F10O4 |
| InChI | InChI=1S/C13H6F10O4/c14-10(15,12(18,19)20)8(24)26-5-6-3-1-2-4-7(6)27-9(25)11(16,17)13(21,22)23/h1-4H,5H2 |
| InChIKey | NJMGLCMOCKABEQ-UHFFFAOYSA-N |
| Molecular Weight | 416.171 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(C(C(F)(F)F)(F)F)=O)COC(C(C(F)(F)F)(F)F)=O |