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6-(4-METHOXYPHENYL)-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-(4-METHOXYPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
SpectraBase Compound ID ciRXn0DUvX
InChI InChI=1S/C19H14ClN7OS/c1-11-16(21-25-26(11)14-7-5-13(20)6-8-14)17-22-23-19-27(17)24-18(29-19)12-3-9-15(28-2)10-4-12/h3-10H,1-2H3
InChIKey AHSKXVVEVYVZAI-UHFFFAOYSA-N
Mol Weight 423.88 g/mol
Molecular Formula C19H14ClN7OS
Exact Mass 423.066907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5uVk031ZGT
Name 6-(4-METHOXYPHENYL)-3-(1-PARA-CHLOROPHENYL-5-METHYL-1,2,3-TRIAZOL-4-YL)-S-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZOLE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14ClN7OS
InChI InChI=1S/C19H14ClN7OS/c1-11-16(21-25-26(11)14-7-5-13(20)6-8-14)17-22-23-19-27(17)24-18(29-19)12-3-9-15(28-2)10-4-12/h3-10H,1-2H3
InChIKey AHSKXVVEVYVZAI-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 423.879 g/mol
Sample ID 968964
Solvent DMSO-D6