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N,N'-bis(2-nitro-5-thienylmethylene)-1,4-phenylenediamine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N,N'-bis(2-nitro-5-thienylmethylene)-1,4-phenylenediamine
SpectraBase Compound ID II9Jb3T3Bs0
InChI InChI=1S/C16H10N4O4S2/c21-19(22)15-7-5-13(25-15)9-17-11-1-2-12(4-3-11)18-10-14-6-8-16(26-14)20(23)24/h1-10H/b17-9+,18-10+
InChIKey FNEUBHACFKZCRZ-BEQMOXJMSA-N
Mol Weight 386.4 g/mol
Molecular Formula C16H10N4O4S2
Exact Mass 386.014347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JcA6rKpWUg
Name N,N'-bis(2-Nitro-5-thienylmethylene)-1,4-phenylenediamine
Comments Computed using HOSE algorithm
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Exact Mass 386.014347162 u
Formula C16H10N4O4S2
InChI InChI=1S/C16H10N4O4S2/c21-19(22)15-7-5-13(25-15)9-17-11-1-2-12(4-3-11)18-10-14-6-8-16(26-14)20(23)24/h1-10H/b17-9+,18-10+
InChIKey FNEUBHACFKZCRZ-BEQMOXJMSA-N
Molecular Weight 386.400 g/mol
SMILES c1(ccc(cc1)\N=C\C1=CC=C(S1)N(=O)=O)\N=C\C1=CC=C(S1)N(=O)=O