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3-Methyl-1-(2,4,6-trichlorophenyl)-4-[1-(N-acetylamino)-2-trichloroethyl]-2-pyrazoline-5-one
SpectraBase Compound ID Ax6WJxIEX6D
InChI InChI=1S/C14H11Cl6N3O2/c1-5-10(12(14(18,19)20)21-6(2)24)13(25)23(22-5)11-8(16)3-7(15)4-9(11)17/h3-4,10,12H,1-2H3,(H,21,24)
InChIKey REOFJVDHIUXCBH-UHFFFAOYSA-N
Mol Weight 466.0 g/mol
Molecular Formula C14H11Cl6N3O2
Exact Mass 462.898243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuD36S5ByoW
Name 3-Methyl-1-(2,4,6-trichlorophenyl)-4-[1-(N-acetylamino)-2-trichloroethyl]-2-pyrazoline-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11Cl6N3O2
InChI InChI=1S/C14H11Cl6N3O2/c1-5-10(12(14(18,19)20)21-6(2)24)13(25)23(22-5)11-8(16)3-7(15)4-9(11)17/h3-4,10,12H,1-2H3,(H,21,24)
InChIKey REOFJVDHIUXCBH-UHFFFAOYSA-N
Molecular Weight 465.979 g/mol
SMILES N(C(C1C(N(N=C1C)c1c(cc(cc1Cl)Cl)Cl)=O)C(Cl)(Cl)Cl)C(=O)C
SPLASH splash10-0006-9110000000-8b455a894233a17e0152
Source of Spectrum SO-0-494-3
Wiley ID 1539316