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2,2'-bis(p-Tolylslphonylamino) tolan
SpectraBase Compound ID 2ocM0449vrg
InChI InChI=1S/C28H24N2O4S2/c1-21-11-17-25(18-12-21)35(31,32)29-27-9-5-3-7-23(27)15-16-24-8-4-6-10-28(24)30-36(33,34)26-19-13-22(2)14-20-26/h3-14,17-20,29-30H,1-2H3
InChIKey BVRCYELVKQTHFZ-UHFFFAOYSA-N
Mol Weight 516.63 g/mol
Molecular Formula C28H24N2O4S2
Exact Mass 516.11775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VYKccRGncz
Name 2,2'-bis(p-Tolylslphonylamino) tolan
Comments Computed using HOSE algorithm
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Exact Mass 516.117749605 u
Formula C28H24N2O4S2
InChI InChI=1S/C28H24N2O4S2/c1-21-11-17-25(18-12-21)35(31,32)29-27-9-5-3-7-23(27)15-16-24-8-4-6-10-28(24)30-36(33,34)26-19-13-22(2)14-20-26/h3-14,17-20,29-30H,1-2H3
InChIKey BVRCYELVKQTHFZ-UHFFFAOYSA-N
Molecular Weight 516.630 g/mol
SMILES C=1(NS(C2=CC=C(C=C2)C)(=O)=O)C(C#CC2=C(NS(C3=CC=C(C=C3)C)(=O)=O)C=CC=C2)=CC=CC1