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5-methyl-3-oxo-2-[1'(2H)-oxo-4'-(3,4-dimethylphenyl)phthalazin-2'-ylmethylcarbonyl]-3,4-dihydropyrazol
SpectraBase Compound ID 1TjJ8bwJ5an
InChI InChI=1S/C22H20N4O3/c1-13-8-9-16(10-14(13)2)21-17-6-4-5-7-18(17)22(29)25(24-21)12-20(28)26-19(27)11-15(3)23-26/h4-10H,11-12H2,1-3H3
InChIKey ZVQGQXQLRXEZSX-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C22H20N4O3
Exact Mass 388.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p8TktTYphI
Name 5-methyl-3-oxo-2-[1'(2H)-oxo-4'-(3,4-dimethylphenyl)phthalazin-2'-ylmethylcarbonyl]-3,4-dihydropyrazol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O3
InChI InChI=1S/C22H20N4O3/c1-13-8-9-16(10-14(13)2)21-17-6-4-5-7-18(17)22(29)25(24-21)12-20(28)26-19(27)11-15(3)23-26/h4-10H,11-12H2,1-3H3
InChIKey ZVQGQXQLRXEZSX-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES C1(=NN(C(c2ccccc12)=O)CC(N1C(CC(=N1)C)=O)=O)c1cc(C)c(cc1)C
SPLASH splash10-03di-0090000000-966db0faa18dcb3d72fb
Source of Spectrum F2-45-1276-22
Synonyms 4-(3,4-dimethylphenyl)-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]-1-phthalazinone 4-(3,4-dimethylphenyl)-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]phthalazin-1-one 4-(3,4-dimethylphenyl)-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxo-ethyl]phthalazin-1-one 4-(3,4-dimethylphenyl)-2-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one
Wiley ID 1689264