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([3-(5-NITROPYRIDINE-2-YL)-AMINO]-PYRIDINE-2-YL)-THIOACETIC-ACID
SpectraBase Compound ID LrmhRUF9A0N
InChI InChI=1S/C12H10N4O4S/c17-11(18)7-21-12-9(2-1-5-13-12)15-10-4-3-8(6-14-10)16(19)20/h1-6H,7H2,(H,14,15)(H,17,18)
InChIKey SIMQAUFSBNNHDE-UHFFFAOYSA-N
Mol Weight 306.3 g/mol
Molecular Formula C12H10N4O4S
Exact Mass 306.042276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SWeUmmVALl
Name ([3-(5-NITROPYRIDINE-2-YL)-AMINO]-PYRIDINE-2-YL)-THIOACETIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N4O4S
InChI InChI=1S/C12H10N4O4S/c17-11(18)7-21-12-9(2-1-5-13-12)15-10-4-3-8(6-14-10)16(19)20/h1-6H,7H2,(H,14,15)(H,17,18)
InChIKey SIMQAUFSBNNHDE-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 306.296 g/mol
Solvent DMSO-D6
Source File Reference UWCS6415