| SpectraBase Compound ID | Fj63vFyV95o |
|---|---|
| InChI | InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-5(2-4-6)7(19)20/h1-4H,(H,19,20) |
| InChIKey | YBKNDPVKYZPTLM-UHFFFAOYSA-N |
| Mol Weight | 334.15 g/mol |
| Molecular Formula | C11H5F7O4 |
| Exact Mass | 334.007606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mLxOnh0LJk |
|---|---|
| Name | Benzoic acid, 4-(heptafluorobutyryloxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.007605778 u |
| Formula | C11H5F7O4 |
| InChI | InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-5(2-4-6)7(19)20/h1-4H,(H,19,20) |
| InChIKey | YBKNDPVKYZPTLM-UHFFFAOYSA-N |
| Molecular Weight | 334.146 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |