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5-amino-N-methyl-3-morpholino-N-[(3-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID DM5Irk7QKep
InChI InChI=1S/C15H18N8O3S/c1-20(17-10-11-3-2-4-12(9-11)23(24)25)15(27)22-13(16)18-14(19-22)21-5-7-26-8-6-21/h2-4,9-10H,5-8H2,1H3,(H2,16,18,19)/b17-10+
InChIKey UPVWRJVVEDLJCY-LICLKQGHSA-N
Mol Weight 390.42 g/mol
Molecular Formula C15H18N8O3S
Exact Mass 390.122258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67RAzeR0c6l
Name 5-amino-N-methyl-3-morpholino-N-[(3-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide
Compound Number 19/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N8O3S
InChI InChI=1S/C15H18N8O3S/c1-20(17-10-11-3-2-4-12(9-11)23(24)25)15(27)22-13(16)18-14(19-22)21-5-7-26-8-6-21/h2-4,9-10H,5-8H2,1H3,(H2,16,18,19)/b17-10+
InChIKey UPVWRJVVEDLJCY-LICLKQGHSA-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 390.420 g/mol
Solvent CDCl3
Source File Reference UWGE805