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2,2'-Dithiobis-[N-(4-aminophenyl)benzamide]
SpectraBase Compound ID KaYjGjvErb2
InChI InChI=1S/C26H22N4O2S2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,27-28H2,(H,29,31)(H,30,32)
InChIKey VOOUYXKCSUKROL-UHFFFAOYSA-N
Mol Weight 486.61 g/mol
Molecular Formula C26H22N4O2S2
Exact Mass 486.118418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvhdsNaYSJI
Name 2,2'-Dithiobis-[N-(4-aminophenyl)benzamide]
Comments Computed using HOSE algorithm
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Exact Mass 486.118418310 u
Formula C26H22N4O2S2
InChI InChI=1S/C26H22N4O2S2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,27-28H2,(H,29,31)(H,30,32)
InChIKey VOOUYXKCSUKROL-UHFFFAOYSA-N
Molecular Weight 486.608 g/mol
SMILES C(C1=C(SSC2=C(C(NC=3C=CC(=CC3)N)=O)C=CC=C2)C=CC=C1)(NC1=CC=C(C=C1)N)=O