| SpectraBase Compound ID | 3JTI1WbylkT |
|---|---|
| InChI | InChI=1S/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-3-1-2-5(4-6)7(20)21/h1-4H,(H,19,22)(H,20,21) |
| InChIKey | RIEFKYYVBXCIQO-UHFFFAOYSA-N |
| Mol Weight | 333.16 g/mol |
| Molecular Formula | C11H6F7NO3 |
| Exact Mass | 333.02359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kxLEf1aF5N |
|---|---|
| Name | Benzoic acid, 3-(heptafluorobutyrylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.023590195 u |
| Formula | C11H6F7NO3 |
| InChI | InChI=1S/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-3-1-2-5(4-6)7(20)21/h1-4H,(H,19,22)(H,20,21) |
| InChIKey | RIEFKYYVBXCIQO-UHFFFAOYSA-N |
| Molecular Weight | 333.162 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |