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N,N'-bis[[6-Methyl-2-pyridyl]methyl]-4,4'-diamino diphenylsulfone

View entire compound with spectra: 1 NMR

N,N'-bis[[6-Methyl-2-pyridyl]methyl]-4,4'-diamino diphenylsulfone
SpectraBase Compound ID LMS15xhg9De
InChI InChI=1S/C26H26N4O2S/c1-19-5-3-7-23(29-19)17-27-21-9-13-25(14-10-21)33(31,32)26-15-11-22(12-16-26)28-18-24-8-4-6-20(2)30-24/h3-16,27-28H,17-18H2,1-2H3
InChIKey NACORKFGEFXCAZ-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C26H26N4O2S
Exact Mass 458.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SGp38S6eNY
Name N,N'-bis[[6-Methyl-2-pyridyl]methyl]-4,4'-diamino diphenylsulfone
Comments Computed using HOSE algorithm
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Exact Mass 458.177647265 u
Formula C26H26N4O2S
InChI InChI=1S/C26H26N4O2S/c1-19-5-3-7-23(29-19)17-27-21-9-13-25(14-10-21)33(31,32)26-15-11-22(12-16-26)28-18-24-8-4-6-20(2)30-24/h3-16,27-28H,17-18H2,1-2H3
InChIKey NACORKFGEFXCAZ-UHFFFAOYSA-N
Molecular Weight 458.580 g/mol
SMILES C1(S(=O)(C2=CC=C(C=C2)NCC2=NC(=CC=C2)C)=O)=CC=C(C=C1)NCC1=NC(=CC=C1)C