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3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-
SpectraBase Compound ID AMdxkSdWDlL
InChI InChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-16-13(2)18-19(17(16)20)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey KQLLARXEDLDWHV-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C17H16N2OS
Exact Mass 296.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9E01dIsuut
Name 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-
Alternate Name(s) 3-Methyl-1-phenyl-4-(p-tolylthio)-1H-pyrazol-5(4H)-one 5-Methyl-4-[(4-methylphenyl)sulfanyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 5-Methyl-4-[(4-methylphenyl)thio]-2-phenyl-4H-pyrazol-3-one 5-Methyl-2-phenyl-4-(p-tolylsulfanyl)-4H-pyrazol-3-one 5-Methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2OS
InChI InChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-16-13(2)18-19(17(16)20)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey KQLLARXEDLDWHV-UHFFFAOYSA-N
Molecular Weight 296.388 g/mol
SMILES CC1=NN(C(=O)C1Sc1ccc(C)cc1)c1ccccc1
SPLASH splash10-05be-9750000000-2687d9d3c1fc5d5d220c
Source of Spectrum JX-2015-2-1487
Wiley ID 1723127