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LIXFHBGOIPBNMH-UHFFFAOYSA-N

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LIXFHBGOIPBNMH-UHFFFAOYSA-N
SpectraBase Compound ID GC3DQFzt6S
InChI InChI=1S/C13H13N7S2/c1-19-13(21)20-11(16-12(18-20)22-2)15-10(17-19)9-5-3-8(7-14)4-6-9/h3-6,10,17H,1-2H3,(H,15,16,18)
InChIKey LIXFHBGOIPBNMH-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C13H13N7S2
Exact Mass 331.067386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DW5T4YuJOSn
Name LIXFHBGOIPBNMH-UHFFFAOYSA-N
Compound Number 20/19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N7S2
InChI InChI=1S/C13H13N7S2/c1-19-13(21)20-11(16-12(18-20)22-2)15-10(17-19)9-5-3-8(7-14)4-6-9/h3-6,10,17H,1-2H3,(H,15,16,18)
InChIKey LIXFHBGOIPBNMH-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1009(1993)
Literature Reference DOI 10.1002/jhet.5570300429
Molecular Weight 331.413 g/mol
Solvent CDCl3
Source File Reference UWGE821