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2-([(3-NITROPYRIDINE-2-YL)-AMINO]-PYRIDINE-2-YL)-THIOACETYL-8-[(5-NITROPYRIDINE-2-YL)-3-OXIDOPYRIDO-[2,1-B]-THIAZOLIUM
SpectraBase Compound ID CeEjL7xK3Kr
InChI InChI=1S/C24H16N8O6S2/c33-18(13-39-22-16(3-1-9-25-22)28-19-7-5-14(11-26-19)31(35)36)21-23(34)30-10-2-4-17(24(30)40-21)29-20-8-6-15(12-27-20)32(37)38/h1-12H,13H2,(H2-,26,27,28,29,33,34)
InChIKey XYRCVXNMLJSESF-UHFFFAOYSA-N
Mol Weight 576.56 g/mol
Molecular Formula C24H16N8O6S2
Exact Mass 576.063423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6g0Azf4UgCh
Name 2-([(3-NITROPYRIDINE-2-YL)-AMINO]-PYRIDINE-2-YL)-THIOACETYL-8-[(5-NITROPYRIDINE-2-YL)-3-OXIDOPYRIDO-[2,1-B]-THIAZOLIUM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H16N8O6S2
InChI InChI=1S/C24H16N8O6S2/c33-18(13-39-22-16(3-1-9-25-22)28-19-7-5-14(11-26-19)31(35)36)21-23(34)30-10-2-4-17(24(30)40-21)29-20-8-6-15(12-27-20)32(37)38/h1-12H,13H2,(H2-,26,27,28,29,33,34)
InChIKey XYRCVXNMLJSESF-UHFFFAOYSA-N
Literature Reference Author D.TAVERNIER,J.C.JAMOULLE,C.L.LAPIERE
Literature Reference Citation CAN.J.CHEM.,56,2109(1978)
Literature Reference DOI 10.1139/v78-344
Molecular Weight 576.561 g/mol
Solvent DMSO-D6
Source File Reference UWCS6416