![4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol](/api/spectrum/Ys5jjjearZ/structure.png?h=300&w=458 "4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol")
| SpectraBase Compound ID | 2gowvN6HxBX |
|---|---|
| InChI | InChI=1S/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16) |
| InChIKey | ALGDMHBOHZVKRO-UHFFFAOYSA-N |
| Mol Weight | 262.62 g/mol |
| Molecular Formula | C10H6ClF3N2O |
| Exact Mass | 262.012075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ys5jjjearZ |
|---|---|
| Name | 4-Chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.012075009 u |
| Formula | C10H6ClF3N2O |
| InChI | InChI=1S/C10H6ClF3N2O/c11-5-1-2-8(17)6(3-5)7-4-9(16-15-7)10(12,13)14/h1-4,17H,(H,15,16) |
| InChIKey | ALGDMHBOHZVKRO-UHFFFAOYSA-N |
| Molecular Weight | 262.619 g/mol |
| SMILES | OC=1C(C2=NNC(=C2)C(F)(F)F)=CC(=CC1)Cl |