| SpectraBase Compound ID | AF2bU0wx4zD |
|---|---|
| InChI | InChI=1S/C14H4F8O2/c15-7-8(16)10(18)12(11(19)9(7)17)24-13(23)5-2-1-3-6(4-5)14(20,21)22/h1-4H |
| InChIKey | ILMCTCNCFZTPCZ-UHFFFAOYSA-N |
| Mol Weight | 356.17 g/mol |
| Molecular Formula | C14H4F8O2 |
| Exact Mass | 356.008355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jf84pCDDSnX |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.008354671 u |
| Formula | C14H4F8O2 |
| InChI | InChI=1S/C14H4F8O2/c15-7-8(16)10(18)12(11(19)9(7)17)24-13(23)5-2-1-3-6(4-5)14(20,21)22/h1-4H |
| InChIKey | ILMCTCNCFZTPCZ-UHFFFAOYSA-N |
| Molecular Weight | 356.171 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F |