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4-(Acetylacetyl)-5-hydroxy-3-(4'-methoxyphenethyl)-1-phenylpyrazole
SpectraBase Compound ID 4O2RkEqZ7iH
InChI InChI=1S/C22H22N2O4/c1-15(25)14-20(26)21-19(13-10-16-8-11-18(28-2)12-9-16)23-24(22(21)27)17-6-4-3-5-7-17/h3-9,11-12,27H,10,13-14H2,1-2H3
InChIKey CTEOKVBCCNJWCW-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLeAHqnjlph
Name 4-(Acetylacetyl)-5-hydroxy-3-(4'-methoxyphenethyl)-1-phenylpyrazole
Alternate Name(s) 1-{5-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-1-phenyl-1H-pyrazol-4-yl}-1,3-butanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-15(25)14-20(26)21-19(13-10-16-8-11-18(28-2)12-9-16)23-24(22(21)27)17-6-4-3-5-7-17/h3-9,11-12,27H,10,13-14H2,1-2H3
InChIKey CTEOKVBCCNJWCW-UHFFFAOYSA-N
Molecular Weight 378.428 g/mol
SMILES Oc1c(c(CCc2ccc(cc2)OC)n[n]1-c1ccccc1)C(CC(=O)C)=O
SPLASH splash10-00di-6901000000-c7140809ae839296546e
Source of Spectrum SK-21-1196-3
Wiley ID 851868