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2-[(4-Methyl-benzenesulfonylamino)-methyl]-6-[(diphenylphosphoryl)-methyl]-pyridine-1-oxide

View entire compound with spectra: 2 NMR

2-[(4-Methyl-benzenesulfonylamino)-methyl]-6-[(diphenylphosphoryl)-methyl]-pyridine-1-oxide
SpectraBase Compound ID I5JzLCsfkPc
InChI InChI=1S/C26H25N2O4PS/c1-21-15-17-26(18-16-21)34(31,32)27-19-22-9-8-10-23(28(22)29)20-33(30,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-18,27H,19-20H2,1H3
InChIKey JPMARMVEFFZSSR-UHFFFAOYSA-N
Mol Weight 492.53 g/mol
Molecular Formula C26H25N2O4PS
Exact Mass 492.127265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTGPbwXdQ7A
Name 2-[(4-Methyl-benzenesulfonylamino)-methyl]-6-[(diphenylphosphoryl)-methyl]-pyridine-1-oxide
Comments Computed using HOSE algorithm
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Exact Mass 492.127265461 u
Formula C26H25N2O4PS
InChI InChI=1S/C26H25N2O4PS/c1-21-15-17-26(18-16-21)34(31,32)27-19-22-9-8-10-23(28(22)29)20-33(30,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-18,27H,19-20H2,1H3
InChIKey JPMARMVEFFZSSR-UHFFFAOYSA-N
Molecular Weight 492.530 g/mol
SMILES C1(=N(C(=CC=C1)CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1)=O)CNS(=O)(=O)C1=CC=C(C=C1)C