| SpectraBase Compound ID | BiBJM3rQCGu |
|---|---|
| InChI | InChI=1S/C21H30F5NO/c1-4-6-7-8-9-10-11-12-13-27(14(3)5-2)21(28)15-16(22)18(24)20(26)19(25)17(15)23/h14H,4-13H2,1-3H3 |
| InChIKey | PYPIZMCQIRPFOW-UHFFFAOYSA-N |
| Mol Weight | 407.47 g/mol |
| Molecular Formula | C21H30F5NO |
| Exact Mass | 407.224755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7TN8odPbJ5 |
|---|---|
| Name | Benzamide, pentafluoro-N-(2-butyl)-N-decyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.224755404 u |
| Formula | C21H30F5NO |
| InChI | InChI=1S/C21H30F5NO/c1-4-6-7-8-9-10-11-12-13-27(14(3)5-2)21(28)15-16(22)18(24)20(26)19(25)17(15)23/h14H,4-13H2,1-3H3 |
| InChIKey | PYPIZMCQIRPFOW-UHFFFAOYSA-N |
| Molecular Weight | 407.469 g/mol |
| SMILES | C1(=C(C(=C(C(=C1C(N(CCCCCCCCCC)C(CC)C)=O)F)F)F)F)F |