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5-Methyl-2-phenyl-4-(trifluoroacetyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID DqJu7yI5nU4
InChI InChI=1S/C12H9F3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey VXIIAPOORVGKBU-UHFFFAOYSA-N
Mol Weight 270.21 g/mol
Molecular Formula C12H9F3N2O2
Exact Mass 270.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B4Nqg20I2J
Name 5-Methyl-2-phenyl-4-(trifluoroacetyl)-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 1691-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N2O2
InChI InChI=1S/C12H9F3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey VXIIAPOORVGKBU-UHFFFAOYSA-N
Molecular Weight 270.211 g/mol
SMILES C1(C(N(c2ccccc2)N=C1C)=O)C(C(F)(F)F)=O
SPLASH splash10-0udi-9140000000-7c53b1e9d3ee57f913cb
Source of Spectrum AD-0-2532-0
Synonyms 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone 5-Methyl-2-phenyl-4-(2,2,2-trifluoro-1-oxoethyl)-4H-pyrazol-3-one 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-2-pyrazolin-3-one 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one 5-Methyl-2-phenyl-4-[2,2,2-tris(fluoranyl)ethanoyl]-4H-pyrazol-3-one Pyrazol-5(4H)-one, 4-trifluoroacetyl-3-methyl-1-phenyl-
Wiley ID 1424780