| SpectraBase Compound ID | H3LJn6Ng6ez |
|---|---|
| InChI | InChI=1S/C14H15F5O4/c1-6(4-21-3)22-5-7(2)23-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,4-5H2,1-3H3 |
| InChIKey | QDDPHVROTSKGNV-UHFFFAOYSA-N |
| Mol Weight | 342.26 g/mol |
| Molecular Formula | C14H15F5O4 |
| Exact Mass | 342.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9u3d1UJmLcU |
|---|---|
| Name | 1-((1-Methoxypropan-2-yl)oxy)propan-2-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 | 342.089049774 u |
| Formula | C14H15F5O4 |
| InChI | InChI=1S/C14H15F5O4/c1-6(4-21-3)22-5-7(2)23-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h6-7H,4-5H2,1-3H3 |
| InChIKey | QDDPHVROTSKGNV-UHFFFAOYSA-N |
| Molecular Weight | 342.262 g/mol |
| SMILES | COCC(OCC(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)C)C |