| SpectraBase Compound ID | 6yURQnQZhVb |
|---|---|
| InChI | InChI=1S/C15H6F8O2/c16-9-8(10(17)12(19)13(20)11(9)18)5-25-14(24)6-1-3-7(4-2-6)15(21,22)23/h1-4H,5H2 |
| InChIKey | AAPJUAFGJWPHGK-UHFFFAOYSA-N |
| Mol Weight | 370.2 g/mol |
| Molecular Formula | C15H6F8O2 |
| Exact Mass | 370.024005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBvBSb91Lez |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.024004735 u |
| Formula | C15H6F8O2 |
| InChI | InChI=1S/C15H6F8O2/c16-9-8(10(17)12(19)13(20)11(9)18)5-25-14(24)6-1-3-7(4-2-6)15(21,22)23/h1-4H,5H2 |
| InChIKey | AAPJUAFGJWPHGK-UHFFFAOYSA-N |
| Molecular Weight | 370.198 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)COC(C1=CC=C(C(F)(F)F)C=C1)=O)F)F |