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2,2'-Bis(4-phenyl-4,5-dihydro-5-imino-1,3,4-thiadiazole)
SpectraBase Compound ID BgVHFWPPQNC
InChI InChI=1S/C16H12N6S2/c17-15-21(11-7-3-1-4-8-11)19-13(23-15)14-20-22(16(18)24-14)12-9-5-2-6-10-12/h1-10,17-18H
InChIKey GLPPYLTZNSGXCT-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C16H12N6S2
Exact Mass 352.056487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ennd37okv6w
Name 2,2'-bis(4-Phenyl-4,5-dihydro-5-imino-1,3,4-thiadiazole)
Comments Computed using HOSE algorithm
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Exact Mass 352.056486758 u
Formula C16H12N6S2
InChI InChI=1S/C16H12N6S2/c17-15-21(11-7-3-1-4-8-11)19-13(23-15)14-20-22(16(18)24-14)12-9-5-2-6-10-12/h1-10,17-18H
InChIKey GLPPYLTZNSGXCT-UHFFFAOYSA-N
Molecular Weight 352.434 g/mol
SMILES C1(C2=NN(C3=CC=CC=C3)C(S2)=N)=NN(C=2C=CC=CC2)C(S1)=N