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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,3,4,5,6-pentafluorobenzamide

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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,3,4,5,6-pentafluorobenzamide
SpectraBase Compound ID CtodryCUaTj
InChI InChI=1S/C18H12F5N3O2/c1-8-16(18(28)26(25(8)2)9-6-4-3-5-7-9)24-17(27)10-11(19)13(21)15(23)14(22)12(10)20/h3-7H,1-2H3,(H,24,27)
InChIKey HYAIWLURNPKPMF-UHFFFAOYSA-N
Mol Weight 397.31 g/mol
Molecular Formula C18H12F5N3O2
Exact Mass 397.084967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CwVRj8nC0b
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,3,4,5,6-pentafluorobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.084967451 u
Formula C18H12F5N3O2
InChI InChI=1S/C18H12F5N3O2/c1-8-16(18(28)26(25(8)2)9-6-4-3-5-7-9)24-17(27)10-11(19)13(21)15(23)14(22)12(10)20/h3-7H,1-2H3,(H,24,27)
InChIKey HYAIWLURNPKPMF-UHFFFAOYSA-N
Molecular Weight 397.305 g/mol
SMILES N(C(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C=1C(N(C=2C=CC=CC2)N(C1C)C)=O