| SpectraBase Compound ID | 2YHVQeylt5Q |
|---|---|
| InChI | InChI=1S/C17H13F5O2/c1-7(2)9-5-4-8(3)10(6-9)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h4-7H,1-3H3 |
| InChIKey | ZOXDMMLFONUGHZ-UHFFFAOYSA-N |
| Mol Weight | 344.28 g/mol |
| Molecular Formula | C17H13F5O2 |
| Exact Mass | 344.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DN26Jrdj97w |
|---|---|
| Name | 5-Isopropyl-2-methylphenyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.083570472 u |
| Formula | C17H13F5O2 |
| InChI | InChI=1S/C17H13F5O2/c1-7(2)9-5-4-8(3)10(6-9)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h4-7H,1-3H3 |
| InChIKey | ZOXDMMLFONUGHZ-UHFFFAOYSA-N |
| Molecular Weight | 344.281 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)C)C(C)C |