| SpectraBase Compound ID | AvwlcYXLX2C |
|---|---|
| InChI | InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)19-5-2-1-3-17-4-5/h1-4H |
| InChIKey | XDJQZXYPLKZVNL-UHFFFAOYSA-N |
| Mol Weight | 291.12 g/mol |
| Molecular Formula | C9H4F7NO2 |
| Exact Mass | 291.013026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD6JvL6w3EK |
|---|---|
| Name | 3-Hydroxypyridine, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.013025512 u |
| Formula | C9H4F7NO2 |
| InChI | InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)19-5-2-1-3-17-4-5/h1-4H |
| InChIKey | XDJQZXYPLKZVNL-UHFFFAOYSA-N |
| Molecular Weight | 291.125 g/mol |
| SMILES | C1(=CN=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |