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3-Methyl-1-phenyl-4-[1-(N-benzoylamido)-2-trichloroethyl]-2-pyrazoline-5-one
SpectraBase Compound ID HtSq84VZenC
InChI InChI=1S/C19H16Cl3N3O2/c1-12-15(18(27)25(24-12)14-10-6-3-7-11-14)16(19(20,21)22)23-17(26)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,23,26)
InChIKey XLJYSQWDDOJDIE-UHFFFAOYSA-N
Mol Weight 424.72 g/mol
Molecular Formula C19H16Cl3N3O2
Exact Mass 423.03081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jfe1KpM2XRK
Name 3-Methyl-1-phenyl-4-[1-(N-benzoylamido)-2-trichloroethyl]-2-pyrazoline-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16Cl3N3O2
InChI InChI=1S/C19H16Cl3N3O2/c1-12-15(18(27)25(24-12)14-10-6-3-7-11-14)16(19(20,21)22)23-17(26)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,23,26)
InChIKey XLJYSQWDDOJDIE-UHFFFAOYSA-N
Molecular Weight 424.715 g/mol
SMILES N(C(C1C(N(N=C1C)c1ccccc1)=O)C(Cl)(Cl)Cl)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-c74c019140e5cb933575
Source of Spectrum SO-0-494-3
Synonyms N-[2,2,2-trichloro-1-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)ethyl]benzamide N-[2,2,2-tris(chloranyl)-1-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)ethyl]benzamide
Wiley ID 1539322