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N-[(E)-(4-nitrobenzylidene)amino]-2-(2-pyridylthio)acetamide
SpectraBase Compound ID 1knDrhLarT7
InChI InChI=1S/C14H12N4O3S/c19-13(10-22-14-3-1-2-8-15-14)17-16-9-11-4-6-12(7-5-11)18(20)21/h1-9H,10H2,(H,17,19)/b16-9+
InChIKey MPYMYSVOPSSURA-CXUHLZMHSA-N
Mol Weight 316.34 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRJgBlzJBvU
Name N-[(E)-(4-Nitrobenzylidene)amino]-2-(2-pyridylthio)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 316.063011433 u
Formula C14H12N4O3S
InChI InChI=1S/C14H12N4O3S/c19-13(10-22-14-3-1-2-8-15-14)17-16-9-11-4-6-12(7-5-11)18(20)21/h1-9H,10H2,(H,17,19)/b16-9+
InChIKey MPYMYSVOPSSURA-CXUHLZMHSA-N
Molecular Weight 316.335 g/mol
SMILES C1=CC=NC(SCC(N\N=C\C2=CC=C(N(=O)=O)C=C2)=O)=C1