![1H-Pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-](/api/spectrum/KLySuWyoHKw/structure.png?h=300&w=458 "1H-Pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-")
| SpectraBase Compound ID | 1wTJkwFn50X |
|---|---|
| InChI | InChI=1S/C11H5Cl2F3N4/c12-7-1-6(11(14,15)16)2-8(13)9(7)20-10(18)5(3-17)4-19-20/h1-2,4H,18H2 |
| InChIKey | YJHMXFBILMSTSZ-UHFFFAOYSA-N |
| Mol Weight | 321.09 g/mol |
| Molecular Formula | C11H5Cl2F3N4 |
| Exact Mass | 319.984336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLySuWyoHKw |
|---|---|
| Name | 1H-Pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.984336066 u |
| Formula | C11H5Cl2F3N4 |
| InChI | InChI=1S/C11H5Cl2F3N4/c12-7-1-6(11(14,15)16)2-8(13)9(7)20-10(18)5(3-17)4-19-20/h1-2,4H,18H2 |
| InChIKey | YJHMXFBILMSTSZ-UHFFFAOYSA-N |
| Molecular Weight | 321.090 g/mol |
| SMILES | NC=1N(C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N=CC1C#N |