| SpectraBase Compound ID | ED2pMTRxeKy |
|---|---|
| InChI | InChI=1S/C13H5F6NO/c14-5-1-3-6(4-2-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21) |
| InChIKey | NXSQZVGPHXRXGT-UHFFFAOYSA-N |
| Mol Weight | 305.18 g/mol |
| Molecular Formula | C13H5F6NO |
| Exact Mass | 305.027533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aOtAtr4M9N |
|---|---|
| Name | 2,3,4,5,6-Pentafluoro-N-(4-fluorophenyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.027532762 u |
| Formula | C13H5F6NO |
| InChI | InChI=1S/C13H5F6NO/c14-5-1-3-6(4-2-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21) |
| InChIKey | NXSQZVGPHXRXGT-UHFFFAOYSA-N |
| Molecular Weight | 305.179 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(NC1=CC=C(C=C1)F)=O)F)F)F |