| SpectraBase Compound ID | 3SeImx71qHU |
|---|---|
| InChI | InChI=1S/C16H19F5O6/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3 |
| InChIKey | SIBNAOBOEUIEEN-UHFFFAOYSA-N |
| Mol Weight | 402.31 g/mol |
| Molecular Formula | C16H19F5O6 |
| Exact Mass | 402.110179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DU9gXPEof5x |
|---|---|
| Name | 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.110179141 u |
| Formula | C16H19F5O6 |
| InChI | InChI=1S/C16H19F5O6/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3 |
| InChIKey | SIBNAOBOEUIEEN-UHFFFAOYSA-N |
| Molecular Weight | 402.314 g/mol |
| SMILES | C(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)COCCOCCOCCOC |