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4-(benzenesulfonylmethyl)-1-phenyl-3-pyrazolecarboxylic acid methyl ester
SpectraBase Compound ID LvL2oJaqxVB
InChI InChI=1S/C18H16N2O4S/c1-24-18(21)17-14(12-20(19-17)15-8-4-2-5-9-15)13-25(22,23)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKey BMXKDOAXFAVTQI-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C18H16N2O4S
Exact Mass 356.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WztqoEhG9x
Name 4-(benzenesulfonylmethyl)-1-phenyl-3-pyrazolecarboxylic acid methyl ester
CAS Registry Number 89805-04-9
Comments Less than 3 mono-isotopic peaks
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Formula C18H16N2O4S
InChI InChI=1S/C18H16N2O4S/c1-24-18(21)17-14(12-20(19-17)15-8-4-2-5-9-15)13-25(22,23)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChIKey BMXKDOAXFAVTQI-UHFFFAOYSA-N
Molecular Weight 356.396 g/mol
SMILES c1(c(n[n](c1)-c1ccccc1)C(=O)OC)CS(=O)(=O)c1ccccc1
SPLASH splash10-014i-0090000000-622aeb4736c360c856b8
Source of Spectrum Y-20-1706-0
Synonyms 4-(besylmethyl)-1-phenyl-pyrazole-3-carboxylic acid methyl ester methyl 1-phenyl-4-(phenylsulfonylmethyl)pyrazole-3-carboxylate methyl 4-(benzenesulfonylmethyl)-1-phenyl-pyrazole-3-carboxylate
Wiley ID 1345651