| SpectraBase Compound ID | 3vw1i9Kpvhj |
|---|---|
| InChI | InChI=1S/C8H4F5NO2/c9-7(10,8(11,12)13)6(15)16-5-2-1-3-14-4-5/h1-4H |
| InChIKey | CLGZQYPLTMPAAK-UHFFFAOYSA-N |
| Mol Weight | 241.12 g/mol |
| Molecular Formula | C8H4F5NO2 |
| Exact Mass | 241.016219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHuIexAyJye |
|---|---|
| Name | 3-Hydroxypyridine, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.016219186 u |
| Formula | C8H4F5NO2 |
| InChI | InChI=1S/C8H4F5NO2/c9-7(10,8(11,12)13)6(15)16-5-2-1-3-14-4-5/h1-4H |
| InChIKey | CLGZQYPLTMPAAK-UHFFFAOYSA-N |
| Molecular Weight | 241.117 g/mol |
| SMILES | C1(=CN=CC=C1)OC(C(C(F)(F)F)(F)F)=O |