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6-(4-CHLOROPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
SpectraBase Compound ID Dsz63VNhPzR
InChI InChI=1S/C18H11Cl2N7S/c1-10-15(21-25-26(10)14-8-6-13(20)7-9-14)16-22-23-18-27(16)24-17(28-18)11-2-4-12(19)5-3-11/h2-9H,1H3
InChIKey NCYHLVLZPHSXMW-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C18H11Cl2N7S
Exact Mass 427.01737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gl3tjVNug6E
Name 6-(4-CHLOROPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11Cl2N7S
InChI InChI=1S/C18H11Cl2N7S/c1-10-15(21-25-26(10)14-8-6-13(20)7-9-14)16-22-23-18-27(16)24-17(28-18)11-2-4-12(19)5-3-11/h2-9H,1H3
InChIKey NCYHLVLZPHSXMW-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 428.298 g/mol
Sample ID 968960
Solvent DMSO-D6