| SpectraBase Compound ID | AO29fJWIy2F |
|---|---|
| InChI | InChI=1S/C11H8F7NO2/c1-21-7-5-3-2-4-6(7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20) |
| InChIKey | IJXIWGZJVJFZRZ-UHFFFAOYSA-N |
| Mol Weight | 319.18 g/mol |
| Molecular Formula | C11H8F7NO2 |
| Exact Mass | 319.044326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWTtk8Kc22d |
|---|---|
| Name | o-Anisidine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.044325641 u |
| Formula | C11H8F7NO2 |
| InChI | InChI=1S/C11H8F7NO2/c1-21-7-5-3-2-4-6(7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20) |
| InChIKey | IJXIWGZJVJFZRZ-UHFFFAOYSA-N |
| Molecular Weight | 319.179 g/mol |
| SMILES | C1(=C(OC)C=CC=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |