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3-(3-Aminobenzamido)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one
SpectraBase Compound ID HJY4RmqTdVH
InChI InChI=1S/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)
InChIKey FFSCMMOUQKDVKY-UHFFFAOYSA-N
Mol Weight 397.65 g/mol
Molecular Formula C16H11Cl3N4O2
Exact Mass 395.994759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL6cmaS5y1R
Name 3-(3-Aminobenzamido)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one
Alternate Name(s) 3-Amino-N-[5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]benzamide 3-Amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide 3-Amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide 3-Azanyl-N-[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]benzamide Benzamide, 3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]- 3-Amino-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide
CAS Registry Number 40567-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11Cl3N4O2
InChI InChI=1S/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)
InChIKey FFSCMMOUQKDVKY-UHFFFAOYSA-N
Molecular Weight 397.649 g/mol
SMILES N(C1=NN(c2c(cc(cc2Cl)Cl)Cl)C(C1)=O)C(c1cc(ccc1)N)=O
SPLASH splash10-00di-3900000000-c73f2529153e0d026a29
Source of Spectrum IC-1099-0-0
Wiley ID 1367239