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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthioxomethyl)-
SpectraBase Compound ID ETkQZsXAZsx
InChI InChI=1S/C17H14N2OS/c1-12-15(16(21)13-8-4-2-5-9-13)17(20)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3
InChIKey CSKZSYODEHUXKG-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C17H14N2OS
Exact Mass 294.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LY334S0zRjl
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylthioxomethyl)-
Alternate Name(s) 1-Phenyl-3-methyl-4-thiobenzoylpyrazolone 3-Methyl-1-phenyl-4-thiobenzoyl-5-pyrazolone 3-Methyl-1-phenyl-4-thiobenzoylpyrazol-5-one 4-Benzothioyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-(benzenecarbonothioyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CAS Registry Number 62574-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2OS
InChI InChI=1S/C17H14N2OS/c1-12-15(16(21)13-8-4-2-5-9-13)17(20)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3
InChIKey CSKZSYODEHUXKG-UHFFFAOYSA-N
Molecular Weight 294.372 g/mol
SMILES N1N(C(C(=C1C)C(=S)c1ccccc1)=O)c1ccccc1
SPLASH splash10-01ox-0090000000-59202d456d06ddf4e36c
Source of Spectrum KC-1981-2951-0
Wiley ID 1297203