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3-(1,3-dimethyl-1H-pyrazol-4-yl)-1,5-diphenyl-1,5-pentanedione
SpectraBase Compound ID IYZJxPL4SIh
InChI InChI=1S/C22H22N2O2/c1-16-20(15-24(2)23-16)19(13-21(25)17-9-5-3-6-10-17)14-22(26)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3
InChIKey XFEVPVTYUZLDSX-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWoWyQoFqAa
Name 3-(1,3-dimethyl-4-pyrazolyl)-1,5-diphenylpentane-1,5-dione
Alternate Name(s) 3-(1,3-dimethylpyrazol-4-yl)-1,5-diphenyl-pentane-1,5-dione Pentane-1,5-dione, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1,5-diphenyl-
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Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-16-20(15-24(2)23-16)19(13-21(25)17-9-5-3-6-10-17)14-22(26)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3
InChIKey XFEVPVTYUZLDSX-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES C(CC(c1ccccc1)=O)(CC(c1ccccc1)=O)c1c(n[n](c1)C)C
SPLASH splash10-0a6r-8930000000-0e326873d711aaeada99
Wiley ID 1440555