| SpectraBase Compound ID | GTafu8N6h2S |
|---|---|
| InChI | InChI=1S/C14H15F5O2/c1-5(2)13(6(3)4)21-14(20)7-8(15)10(17)12(19)11(18)9(7)16/h5-6,13H,1-4H3 |
| InChIKey | PDADNVLCYCMZTB-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C14H15F5O2 |
| Exact Mass | 310.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqZzefkplGU |
|---|---|
| Name | 2,4-Dimethylpentan-3-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 | 310.099220536 u |
| Formula | C14H15F5O2 |
| InChI | InChI=1S/C14H15F5O2/c1-5(2)13(6(3)4)21-14(20)7-8(15)10(17)12(19)11(18)9(7)16/h5-6,13H,1-4H3 |
| InChIKey | PDADNVLCYCMZTB-UHFFFAOYSA-N |
| Molecular Weight | 310.264 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C(C)C)C(C)C |