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1-(4-Methylcoumarinyl-7-oxyacetyl)-3-methyl-4-(4-bromophenyl)hydrazono-2-pyrazolin-5-one
SpectraBase Compound ID 5m6K44xp52Q
InChI InChI=1S/C22H17BrN4O5/c1-12-9-20(29)32-18-10-16(7-8-17(12)18)31-11-19(28)27-22(30)21(13(2)26-27)25-24-15-5-3-14(23)4-6-15/h3-10,24H,11H2,1-2H3/b25-21+
InChIKey YNNWRRIHVGNVFH-NJNXFGOHSA-N
Mol Weight 497.31 g/mol
Molecular Formula C22H17BrN4O5
Exact Mass 496.038233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKOTLks4jCs
Name 1-(4-Methylcoumarinyl-7-oxyacetyl)-3-methyl-4-(4-bromophenyl)hydrazono-2-pyrazolin-5-one
Alternate Name(s) (4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-3-pyrazolone (4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-3-one (4E)-4-[(4-bromophenyl)hydrazono]-5-methyl-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]pyrazol-3-one (4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methyl-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrazol-3-one
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Formula C22H17BrN4O5
InChI InChI=1S/C22H17BrN4O5/c1-12-9-20(29)32-18-10-16(7-8-17(12)18)31-11-19(28)27-22(30)21(13(2)26-27)25-24-15-5-3-14(23)4-6-15/h3-10,24H,11H2,1-2H3/b25-21+
InChIKey YNNWRRIHVGNVFH-NJNXFGOHSA-N
Molecular Weight 497.305 g/mol
SMILES N(\N=C\1C(N(N=C1C)C(COc1cc2OC(=O)C=C(c2cc1)C)=O)=O)c1ccc(cc1)Br
SPLASH splash10-014i-0100900000-0decdc313630c77dd12d
Source of Spectrum F2-44-4693-5b
Wiley ID 1705727