| SpectraBase Compound ID | hjPQ37c7AR |
|---|---|
| InChI | InChI=1S/C13H7F5N2O/c1-5-3-2-4-6(19-5)20-13(21)7-8(14)10(16)12(18)11(17)9(7)15/h2-4H,1H3,(H,19,20,21) |
| InChIKey | ZDDBVCRJRGZHCD-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C13H7F5N2O |
| Exact Mass | 302.047854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dBe21ow2P9 |
|---|---|
| Name | 2,3,4,5,6-Pentafluoro-N-(6-methyl-2-pyridyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.047853667 u |
| Formula | C13H7F5N2O |
| InChI | InChI=1S/C13H7F5N2O/c1-5-3-2-4-6(19-5)20-13(21)7-8(14)10(16)12(18)11(17)9(7)15/h2-4H,1H3,(H,19,20,21) |
| InChIKey | ZDDBVCRJRGZHCD-UHFFFAOYSA-N |
| Molecular Weight | 302.204 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(NC=1C=CC=C(C)N1)=O)F)F)F |