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2-(p-Toluenesulfonic)-4-phenyl-5,5-(pentamethylene)-4,5-dihydro-1H-(1,3,4)-diazaphosphole - oxide
SpectraBase Compound ID BoTxOee399i
InChI InChI=1S/C20H24N3O3PS/c1-16-10-12-18(13-11-16)28(25,26)23-19-21-20(14-6-3-7-15-20)27(24,22-19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H2,21,22,23,24)
InChIKey BZACPEMFQPWXIW-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C20H24N3O3PS
Exact Mass 417.1276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jjt8ttUtk20
Name 2-(p-Toluenesulfonic)-4-phenyl-5,5-(pentamethylene)-4,5-dihydro-1H-(1,3,4)-diazaphosphole - oxide
Comments Less than 3 mono-isotopic peaks
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Formula C20H24N3O3PS
InChI InChI=1S/C20H24N3O3PS/c1-16-10-12-18(13-11-16)28(25,26)23-19-21-20(14-6-3-7-15-20)27(24,22-19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H2,21,22,23,24)
InChIKey BZACPEMFQPWXIW-UHFFFAOYSA-N
Molecular Weight 417.464 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C1=NP(C2(N1)CCCCC2)(=O)c1ccccc1
SPLASH splash10-03di-0090000000-c53e17707babbbc30671
Source of Spectrum SK-28-4677-8
Synonyms 4-methyl-N-(4-oxo-4-phenyl-1,3-diaza-4$l^{5}-phosphaspiro[4.5]dec-1-en-2-yl)benzenesulfonamide 4-methyl-N-(4-oxidanylidene-4-phenyl-1,3-diaza-4$l^{5}-phosphaspiro[4.5]dec-1-en-2-yl)benzenesulfonamide
Wiley ID 880288