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N,N'-Dodecamethylenebis(p-toluenesulfonamide)

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N,N'-Dodecamethylenebis(p-toluenesulfonamide)
SpectraBase Compound ID GCoMUFRHoaU
InChI InChI=1S/C26H40N2O4S2/c1-23-13-17-25(18-14-23)33(29,30)27-21-11-9-7-5-3-4-6-8-10-12-22-28-34(31,32)26-19-15-24(2)16-20-26/h13-20,27-28H,3-12,21-22H2,1-2H3
InChIKey PJDROTNOESHZRD-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C26H40N2O4S2
Exact Mass 508.24295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsqM0tWVIzm
Name N,N'-Dodecamethylenebis(p-toluenesulfonamide)
Comments Computed using HOSE algorithm
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Exact Mass 508.242950120 u
Formula C26H40N2O4S2
InChI InChI=1S/C26H40N2O4S2/c1-23-13-17-25(18-14-23)33(29,30)27-21-11-9-7-5-3-4-6-8-10-12-22-28-34(31,32)26-19-15-24(2)16-20-26/h13-20,27-28H,3-12,21-22H2,1-2H3
InChIKey PJDROTNOESHZRD-UHFFFAOYSA-N
Molecular Weight 508.736 g/mol
SMILES C(CCCCCNS(C1=CC=C(C=C1)C)(=O)=O)CCCCCCNS(C1=CC=C(C=C1)C)(=O)=O