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3-t-Butyl-1-phenyl-4-[1-(N-acetylamido)-2-trichloroethyl]-2-pyrazoline-5-one
SpectraBase Compound ID 1LP9gvR4KZW
InChI InChI=1S/C17H20Cl3N3O2/c1-10(24)21-14(17(18,19)20)12-13(16(2,3)4)22-23(15(12)25)11-8-6-5-7-9-11/h5-9,12,14H,1-4H3,(H,21,24)
InChIKey NBOQKBNWTMRJQQ-UHFFFAOYSA-N
Mol Weight 404.73 g/mol
Molecular Formula C17H20Cl3N3O2
Exact Mass 403.06211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjPzPsvmeEX
Name 3-t-Butyl-1-phenyl-4-[1-(N-acetylamido)-2-trichloroethyl]-2-pyrazoline-5-one
Alternate Name(s) N-[1-(3-tert-butyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2,2,2-trichloroethyl]acetamide N-[1-(3-tert-butyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2,2,2-trichloro-ethyl]acetamide N-[1-(3-tert-butyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-2,2,2-tris(chloranyl)ethyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl3N3O2
InChI InChI=1S/C17H20Cl3N3O2/c1-10(24)21-14(17(18,19)20)12-13(16(2,3)4)22-23(15(12)25)11-8-6-5-7-9-11/h5-9,12,14H,1-4H3,(H,21,24)
InChIKey NBOQKBNWTMRJQQ-UHFFFAOYSA-N
Molecular Weight 404.725 g/mol
SMILES N(C(C1C(N(c2ccccc2)N=C1C(C)(C)C)=O)C(Cl)(Cl)Cl)C(=O)C
SPLASH splash10-0006-9130000000-39a866281b2b261a5add
Source of Spectrum SO-0-494-3
Wiley ID 1539319