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3-(diethoxyphosphorylmethyl)-4-methyl-1-(p-tolylsulfonyl)pyrrole
SpectraBase Compound ID I5CjzYYS8WD
InChI InChI=1S/C17H24NO5PS/c1-5-22-24(19,23-6-2)13-16-12-18(11-15(16)4)25(20,21)17-9-7-14(3)8-10-17/h7-12H,5-6,13H2,1-4H3
InChIKey LCVWJDQXPZRTDW-UHFFFAOYSA-N
Mol Weight 385.41 g/mol
Molecular Formula C17H24NO5PS
Exact Mass 385.111281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6cf34SxWPn
Name 3-(diethoxyphosphorylmethyl)-4-methyl-1-(p-tolylsulfonyl)pyrrole
Appearance Colorless liquid
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Formula C17H24NO5PS
InChI InChI=1S/C17H24NO5PS/c1-5-22-24(19,23-6-2)13-16-12-18(11-15(16)4)25(20,21)17-9-7-14(3)8-10-17/h7-12H,5-6,13H2,1-4H3
InChIKey LCVWJDQXPZRTDW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 385.415 g/mol
Reported Formula C17H24NO5PS
SMILES c1(S([n]2cc(CP(OCC)(OCC)=O)c(C)c2)(=O)=O)ccc(C)cc1
SPLASH splash10-001i-3392000000-b66d4d6bdb818e5406ce
Source of Spectrum JP5019314B2
Wiley ID 1852252