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4-(2-(4-chlorophenylcarbonyloxy)-1-oxopropyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID 1abzbDJ4OqL
InChI InChI=1S/C21H19ClN2O4/c1-13-18(20(26)24(23(13)3)17-7-5-4-6-8-17)19(25)14(2)28-21(27)15-9-11-16(22)12-10-15/h4-12,14H,1-3H3
InChIKey WCXUWGIAAUWNQA-UHFFFAOYSA-N
Mol Weight 398.85 g/mol
Molecular Formula C21H19ClN2O4
Exact Mass 398.103335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mfBVeUx6zv
Name 4-(2-(4-chlorophenylcarbonyloxy)-1-oxopropyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Alternate Name(s) 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxopropan-2-yl 4-chlorobenzoate 4-Chlorobenzoic acid [1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxopropan-2-yl] ester [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxopropan-2-yl] 4-chlorobenzoate [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-2-oxo-ethyl] 4-chlorobenzoate [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate
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Formula C21H19ClN2O4
InChI InChI=1S/C21H19ClN2O4/c1-13-18(20(26)24(23(13)3)17-7-5-4-6-8-17)19(25)14(2)28-21(27)15-9-11-16(22)12-10-15/h4-12,14H,1-3H3
InChIKey WCXUWGIAAUWNQA-UHFFFAOYSA-N
Molecular Weight 398.846 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)C(C(OC(c1ccc(cc1)Cl)=O)C)=O
SPLASH splash10-066r-2190000000-c2fe57861e5ea7b2e136
Source of Spectrum EMC-35-363-5d
Wiley ID 1734617