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2,6-bis[(2-Nitrophenyl)sulfanyl]pyridine
SpectraBase Compound ID 7vwlvCjYetX
InChI InChI=1S/C17H11N3O4S2/c21-19(22)12-6-1-3-8-14(12)25-16-10-5-11-17(18-16)26-15-9-4-2-7-13(15)20(23)24/h1-11H
InChIKey HIPQXUQZXCERFH-UHFFFAOYSA-N
Mol Weight 385.41 g/mol
Molecular Formula C17H11N3O4S2
Exact Mass 385.019098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96SHuBAdD4D
Name 2,6-bis[(2-Nitrophenyl)sulfanyl]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 385.019098190 u
Formula C17H11N3O4S2
InChI InChI=1S/C17H11N3O4S2/c21-19(22)12-6-1-3-8-14(12)25-16-10-5-11-17(18-16)26-15-9-4-2-7-13(15)20(23)24/h1-11H
InChIKey HIPQXUQZXCERFH-UHFFFAOYSA-N
Molecular Weight 385.412 g/mol
SMILES C1(N(=O)=O)=C(SC=2N=C(SC3=C(N(=O)=O)C=CC=C3)C=CC2)C=CC=C1