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3-(diphenylphosphorylmethyl)-4-methyl-1-(p-tolylsulfonyl)pyrrole
SpectraBase Compound ID AlMVrIh0P6u
InChI InChI=1S/C25H24NO3PS/c1-20-13-15-25(16-14-20)31(28,29)26-17-21(2)22(18-26)19-30(27,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-18H,19H2,1-2H3
InChIKey AORCWLNIKKWACE-UHFFFAOYSA-N
Mol Weight 449.5 g/mol
Molecular Formula C25H24NO3PS
Exact Mass 449.121452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lsas3nKBLBp
Name 3-(diphenylphosphorylmethyl)-4-methyl-1-(p-tolylsulfonyl)pyrrole
Appearance Yellow crystals
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Formula C25H24NO3PS
InChI InChI=1S/C25H24NO3PS/c1-20-13-15-25(16-14-20)31(28,29)26-17-21(2)22(18-26)19-30(27,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-18H,19H2,1-2H3
InChIKey AORCWLNIKKWACE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 449.505 g/mol
Reported Formula C25H24NO3PS
SMILES c1(S([n]2cc(CP(c3ccccc3)(=O)c3ccccc3)c(C)c2)(=O)=O)ccc(C)cc1
SPLASH splash10-0006-3090000000-c0546c641d0376b666d3
Source of Spectrum JP5019314B2
Wiley ID 1852253