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3-Methyl-1-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2-pyrazolin-5-one
SpectraBase Compound ID ESnWuHNjRO5
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-LCYFTJDESA-N
Mol Weight 380.66 g/mol
Molecular Formula C17H12Cl3N3O
Exact Mass 379.004595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J81h6fPy9q1
Name 3-Methyl-1-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2-pyrazolin-5-one
CAS Registry Number 338989-15-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-LCYFTJDESA-N
Molecular Weight 380.662 g/mol
SMILES N(\C=C/1C(N(c2ccccc2)N=C1C)=O)c1c(cc(cc1Cl)Cl)Cl
SPLASH splash10-000i-8915000000-45aeb6b13eb0ab064857
Synonyms (4Z)-5-Methyl-2-phenyl-4-[(2,4,6-trichloroanilino)methylene]-2,4-dihydro-3H-pyrazol-3-one (4Z)-5-methyl-2-phenyl-4-[(2,4,6-trichloroanilino)methylidene]pyrazol-3-one
Wiley ID 1467631