| SpectraBase Compound ID | 6hUWI2MvJjx |
|---|---|
| InChI | InChI=1S/C12H12F5NO/c1-4-5(2)18(3)12(19)6-7(13)9(15)11(17)10(16)8(6)14/h5H,4H2,1-3H3 |
| InChIKey | QKIHMEJFWZSNHS-UHFFFAOYSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C12H12F5NO |
| Exact Mass | 281.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2keIOmUXocB |
|---|---|
| Name | Benzamide, pentafluoro-N-(2-butyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.083904824 u |
| Formula | C12H12F5NO |
| InChI | InChI=1S/C12H12F5NO/c1-4-5(2)18(3)12(19)6-7(13)9(15)11(17)10(16)8(6)14/h5H,4H2,1-3H3 |
| InChIKey | QKIHMEJFWZSNHS-UHFFFAOYSA-N |
| Molecular Weight | 281.226 g/mol |
| SMILES | C1(=C(C(=C(C(=C1C(N(C)C(CC)C)=O)F)F)F)F)F |