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3-Methyl-1-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2-pyrazolin-5-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Methyl-1-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2-pyrazolin-5-
SpectraBase Compound ID KDbIClaBPRQ
InChI InChI=1S/C17H12Cl3N3O/c1-10-13(9-21-16-14(19)7-11(18)8-15(16)20)17(24)23(22-10)12-5-3-2-4-6-12/h2-9,21H,1H3/b13-9+
InChIKey QAJSYWOMZATKIP-UKTHLTGXSA-N
Mol Weight 380.66 g/mol
Molecular Formula C17H12Cl3N3O
Exact Mass 379.004595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLUjzQdQiSp
Name 3-Methyl-1-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2-pyrazolin-5-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.004595117 u
Formula C17H12Cl3N3O
InChI InChI=1S/C17H12Cl3N3O/c1-10-13(9-21-16-14(19)7-11(18)8-15(16)20)17(24)23(22-10)12-5-3-2-4-6-12/h2-9,21H,1H3/b13-9+
InChIKey QAJSYWOMZATKIP-UKTHLTGXSA-N
Molecular Weight 380.662 g/mol
SMILES N(\C=C\1C(N(N=C1C)c1ccccc1)=O)c1c(cc(cc1Cl)Cl)Cl