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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-
SpectraBase Compound ID JJJeACD8hof
InChI InChI=1S/C14H16N2O2/c1-3-7-12(17)13-10(2)15-16(14(13)18)11-8-5-4-6-9-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKey DGINUZKPVPBSRB-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BlNRM3IbEp
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-
Alternate Name(s) 4-Butyryl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 2-Pyrazolin-5-one, 4-butyryl-3-methyl-1-phenyl- 4-Butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one 4-Butyryl-5-methyl-2-phenyl-2-pyrazolin-3-one 5-Methyl-4-(1-oxobutyl)-2-phenyl-4H-pyrazol-3-one
CAS Registry Number 22616-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-3-7-12(17)13-10(2)15-16(14(13)18)11-8-5-4-6-9-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKey DGINUZKPVPBSRB-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES CCCC(C1C(C)=NN(c2ccccc2)C1=O)=O
SPLASH splash10-0udi-2090000000-e185af6970720e08b0f1
Source of Spectrum JZ-1992-2021-0
Wiley ID 1247117