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6-PHENYL-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE

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6-PHENYL-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
SpectraBase Compound ID CceWcDsQU4y
InChI InChI=1S/C18H12ClN7S/c1-11-15(20-24-25(11)14-9-7-13(19)8-10-14)16-21-22-18-26(16)23-17(27-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey XEECPZNVSHLGBA-UHFFFAOYSA-N
Mol Weight 393.86 g/mol
Molecular Formula C18H12ClN7S
Exact Mass 393.056342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lBkcUI4QGX
Name 6-PHENYL-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12ClN7S
InChI InChI=1S/C18H12ClN7S/c1-11-15(20-24-25(11)14-9-7-13(19)8-10-14)16-21-22-18-26(16)23-17(27-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey XEECPZNVSHLGBA-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 393.853 g/mol
Sample ID 968958
Solvent DMSO-D6