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1-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazole
SpectraBase Compound ID 7OUa5QmTGmx
InChI InChI=1S/C16H14N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey PDNFUBIFJVMADV-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYt9ypKUpvY
Name 1-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazole
Alternate Name(s) 3-Phenyl-1(N)-tosyl)-1,2-pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-13-7-9-15(10-8-13)21(19,20)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey PDNFUBIFJVMADV-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
SMILES c1(n[n](S(c2ccc(cc2)C)(=O)=O)cc1)-c1ccccc1
SPLASH splash10-001i-0090000000-5bb93ee2fcbf8e3508c2
Source of Spectrum D1-1997-961-6
Wiley ID 835033