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1,3-Diphenyl-4-[1-(N-acetylamido)-2-trichloroethyl]-2-pyrazoline-5-one
SpectraBase Compound ID GMpCpqiRR3P
InChI InChI=1S/C19H16Cl3N3O2/c1-12(26)23-17(19(20,21)22)15-16(13-8-4-2-5-9-13)24-25(18(15)27)14-10-6-3-7-11-14/h2-11,15,17H,1H3,(H,23,26)
InChIKey FGNOUTRQMSNGNW-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 BDzHufAiYLQ
Name 1,3-Diphenyl-4-[1-(N-acetylamido)-2-trichloroethyl]-2-pyrazoline-5-one
Alternate Name(s) N-[2,2,2-trichloro-1-(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)ethyl]acetamide N-[2,2,2-tris(chloranyl)-1-(5-oxidanylidene-1,3-diphenyl-4H-pyrazol-4-yl)ethyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16Cl3N3O2
InChI InChI=1S/C19H16Cl3N3O2/c1-12(26)23-17(19(20,21)22)15-16(13-8-4-2-5-9-13)24-25(18(15)27)14-10-6-3-7-11-14/h2-11,15,17H,1H3,(H,23,26)
InChIKey FGNOUTRQMSNGNW-UHFFFAOYSA-N
Molecular Weight 424.715 g/mol
SMILES N(C(C1C(N(c2ccccc2)N=C1c1ccccc1)=O)C(Cl)(Cl)Cl)C(=O)C
SPLASH splash10-0006-9110000000-de90cac99d3cbb6b4ae6
Source of Spectrum SO-0-494-3
Wiley ID 1539318