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3-[[ethoxy(phenyl)phosphoryl]methyl]-4-methyl-1-(p-tolylsulfonyl)pyrrole
SpectraBase Compound ID BhzncFksahZ
InChI InChI=1S/C21H24NO4PS/c1-4-26-27(23,20-8-6-5-7-9-20)16-19-15-22(14-18(19)3)28(24,25)21-12-10-17(2)11-13-21/h5-15H,4,16H2,1-3H3
InChIKey LYUDSODAQPDMKN-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C21H24NO4PS
Exact Mass 417.116366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mUiP800TL
Name 3-[[ethoxy(phenyl)phosphoryl]methyl]-4-methyl-1-(p-tolylsulfonyl)pyrrole
Appearance Yellow liquid
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Formula C21H24NO4PS
InChI InChI=1S/C21H24NO4PS/c1-4-26-27(23,20-8-6-5-7-9-20)16-19-15-22(14-18(19)3)28(24,25)21-12-10-17(2)11-13-21/h5-15H,4,16H2,1-3H3
InChIKey LYUDSODAQPDMKN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 417.460 g/mol
Reported Formula C21H24NO4PS
SMILES c1(S([n]2cc(CP(OCC)(c3ccccc3)=O)c(C)c2)(=O)=O)ccc(C)cc1
SPLASH splash10-03dl-4390100000-e012e4f2351f8d525b6d
Source of Spectrum JP5019314B2
Wiley ID 1852251