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4-[(5-Chloro-3-methyl-1-phenyl-4-pyrazolyl)methylene]-2-(3-iodophenyl)-2-oxazolin-5-one
SpectraBase Compound ID 4qPuCkwBUy
InChI InChI=1S/C20H13ClIN3O2/c1-12-16(18(21)25(24-12)15-8-3-2-4-9-15)11-17-20(26)27-19(23-17)13-6-5-7-14(22)10-13/h2-11H,1H3/b17-11+
InChIKey DNLIZTRPUKBLAU-GZTJUZNOSA-N
Mol Weight 489.7 g/mol
Molecular Formula C20H13ClIN3O2
Exact Mass 488.974099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6MATMlRwMf
Name 4-[(5-CHLORO-3-METHYL-1-PHENYL-4-PYRAZOLYL)METHYLENE]-2-(3-IODOPHENYL)-
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Formula C20H13ClIN3O2
InChI InChI=1S/C20H13ClIN3O2/c1-12-16(18(21)25(24-12)15-8-3-2-4-9-15)11-17-20(26)27-19(23-17)13-6-5-7-14(22)10-13/h2-11H,1H3/b17-11+
InChIKey DNLIZTRPUKBLAU-GZTJUZNOSA-N
Molecular Weight 488.9698
SMILES C1(=O)OC(c2cccc(I)c2)=N\C1=C/c1c(Cl)[n](-c2ccccc2)nc1C
SPLASH splash10-0fai-9270100000-baff3a4a4ac7d5b19395
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany