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2-[1-(4-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]malonic acid dimethyl ester
SpectraBase Compound ID HTfLUmMc5I4
InChI InChI=1S/C15H15ClN2O5/c1-8-11(12(14(20)22-2)15(21)23-3)13(19)18(17-8)10-6-4-9(16)5-7-10/h4-7,12,17H,1-3H3
InChIKey GPVBUHFXSPYZMF-UHFFFAOYSA-N
Mol Weight 338.75 g/mol
Molecular Formula C15H15ClN2O5
Exact Mass 338.066949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnwttCGpWRX
Name 2-[1-(4-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]malonic acid dimethyl ester
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Formula C15H15ClN2O5
InChI InChI=1S/C15H15ClN2O5/c1-8-11(12(14(20)22-2)15(21)23-3)13(19)18(17-8)10-6-4-9(16)5-7-10/h4-7,12,17H,1-3H3
InChIKey GPVBUHFXSPYZMF-UHFFFAOYSA-N
Molecular Weight 338.747 g/mol
SMILES N1N(C(C(=C1C)C(C(=O)OC)C(=O)OC)=O)c1ccc(cc1)Cl
SPLASH splash10-004i-0094000000-7d7e5d4dc9caaa1a48ad
Source of Spectrum C5-2002-1550-5
Synonyms 2-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanedioic acid dimethyl ester Dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanedioate Dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanedioate
Wiley ID 1614861