SpectraBase Compound ID | ArmaD7q81wt |
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InChI | InChI=1S/C13H11F3N2O2/c1-8-10(12(19)20-2)11(13(14,15)16)17-18(8)9-6-4-3-5-7-9/h3-7H,1-2H3 |
InChIKey | QIFGAWWAAXRKGQ-UHFFFAOYSA-N |
Mol Weight | 284.24 g/mol |
Molecular Formula | C13H11F3N2O2 |
Exact Mass | 284.077262 g/mol |
SpectraBase Spectrum ID | 6uJ6uAXBZvn |
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Name | Methyl 5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 284.077262089 u |
Formula | C13H11F3N2O2 |
InChI | InChI=1S/C13H11F3N2O2/c1-8-10(12(19)20-2)11(13(14,15)16)17-18(8)9-6-4-3-5-7-9/h3-7H,1-2H3 |
InChIKey | QIFGAWWAAXRKGQ-UHFFFAOYSA-N |
Molecular Weight | 284.238 g/mol |
SMILES | C=1(N(N=C(C1C(OC)=O)C(F)(F)F)C=1C=CC=CC1)C |