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6-(4-NITROPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
SpectraBase Compound ID HlnpsA8yJGc
InChI InChI=1S/C18H11ClN8O2S/c1-10-15(20-24-25(10)13-8-4-12(19)5-9-13)16-21-22-18-26(16)23-17(30-18)11-2-6-14(7-3-11)27(28)29/h2-9H,1H3
InChIKey FEMWIZKXIKSMRT-UHFFFAOYSA-N
Mol Weight 438.85 g/mol
Molecular Formula C18H11ClN8O2S
Exact Mass 438.04142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTe5OciqKlz
Name 6-(4-NITROPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11ClN8O2S
InChI InChI=1S/C18H11ClN8O2S/c1-10-15(20-24-25(10)13-8-4-12(19)5-9-13)16-21-22-18-26(16)23-17(30-18)11-2-6-14(7-3-11)27(28)29/h2-9H,1H3
InChIKey FEMWIZKXIKSMRT-UHFFFAOYSA-N
Literature Reference Author X.W.SUN,C.H.CHU,Z.Y.ZHANG
Literature Reference Citation SPECTROSC.LETT.,32,1025(1999)
Literature Reference DOI 10.1080/00387019909350047
Molecular Weight 438.851 g/mol
Sample ID 968965
Solvent DMSO-D6