![Benzoic acid, 4-[(trifluoroacetyl)oxy]-](/api/spectrum/CGnpYS2KrVK/structure.png?h=300&w=458 "Benzoic acid, 4-[(trifluoroacetyl)oxy]-")
| SpectraBase Compound ID | AXOuiDjNA5x |
|---|---|
| InChI | InChI=1S/C9H5F3O4/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14) |
| InChIKey | KUTXBLATXSIYPZ-UHFFFAOYSA-N |
| Mol Weight | 234.13 g/mol |
| Molecular Formula | C9H5F3O4 |
| Exact Mass | 234.013993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGnpYS2KrVK |
|---|---|
| Name | Benzoic acid, 4-[(trifluoroacetyl)oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.013993126 u |
| Formula | C9H5F3O4 |
| InChI | InChI=1S/C9H5F3O4/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14) |
| InChIKey | KUTXBLATXSIYPZ-UHFFFAOYSA-N |
| Molecular Weight | 234.130 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C(O)=O)(C(F)(F)F)=O |