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4-(4-methylphenyl)sulfonyl-5-(phenylseleno)-1H-pyrazole
SpectraBase Compound ID HdMXpSDuRev
InChI InChI=1S/C16H14N2O2SSe/c1-12-7-9-13(10-8-12)21(19,20)15-11-17-18-16(15)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)
InChIKey CWDMRKUTUJPXGQ-UHFFFAOYSA-N
Mol Weight 377.33 g/mol
Molecular Formula C16H14N2O2SSe
Exact Mass 377.994121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dN9bzZ37W9
Name 4-(4-methylphenyl)sulfonyl-5-(phenylseleno)-1H-pyrazole
Alternate Name(s) 4-(4-methylphenyl)sulfonyl-5-phenylselanyl-1H-pyrazole 5-(phenylseleno)-4-tosyl-1H-pyrazole 5-phenylselanyl-4-(p-tolylsulfonyl)-1H-pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H14N2O2SSe
InChI InChI=1S/C16H14N2O2SSe/c1-12-7-9-13(10-8-12)21(19,20)15-11-17-18-16(15)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)
InChIKey CWDMRKUTUJPXGQ-UHFFFAOYSA-N
Molecular Weight 377.332 g/mol
SMILES [nH]1cc(c(n1)[Se]c1ccccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-004l-5009000000-c2533d6c9d30c3b1969e
Source of Spectrum J-64-7431-17
Wiley ID 1531212