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4,4'-(HEXANE-1,4-DIYL)-BIS-[2-[[5-(4-BROMOPHENYLAMINO)-1,3,4-THIADIAZOLE-2-YL]-METHYL]-5-METHYL-2H-1,2,4-TRIAZOLE-3(4H)-ONE]

View entire compound with spectra: 1 NMR

4,4'-(HEXANE-1,4-DIYL)-BIS-[2-[[5-(4-BROMOPHENYLAMINO)-1,3,4-THIADIAZOLE-2-YL]-METHYL]-5-METHYL-2H-1,2,4-TRIAZOLE-3(4H)-ONE]
SpectraBase Compound ID 5wI2zCA8Vo2
InChI InChI=1S/C30H32Br2N12O2S2/c1-19-39-43(17-25-35-37-27(47-25)33-23-11-7-21(31)8-12-23)29(45)41(19)15-5-3-4-6-16-42-20(2)40-44(30(42)46)18-26-36-38-28(48-26)34-24-13-9-22(32)10-14-24/h7-14H,3-6,15-18H2,1-2H3,(H,33,37)(H,34,38)
InChIKey QQSZSTCDQWAXQM-UHFFFAOYSA-N
Mol Weight 816.6 g/mol
Molecular Formula C30H32Br2N12O2S2
Exact Mass 814.057937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ur0x6tmJsc
Name 4,4'-(HEXANE-1,4-DIYL)-BIS-[2-[[5-(4-BROMOPHENYLAMINO)-1,3,4-THIADIAZOLE-2-YL]-METHYL]-5-METHYL-2H-1,2,4-TRIAZOLE-3(4H)-ONE]
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32Br2N12O2S2
InChI InChI=1S/C30H32Br2N12O2S2/c1-19-39-43(17-25-35-37-27(47-25)33-23-11-7-21(31)8-12-23)29(45)41(19)15-5-3-4-6-16-42-20(2)40-44(30(42)46)18-26-36-38-28(48-26)34-24-13-9-22(32)10-14-24/h7-14H,3-6,15-18H2,1-2H3,(H,33,37)(H,34,38)
InChIKey QQSZSTCDQWAXQM-UHFFFAOYSA-N
Literature Reference Author E.DUGDU,Y.UNVER,D.UNLUER,K.SANCAK
Literature Reference Citation MOLECULES,19,2199(2014)
Literature Reference DOI 10.3390/molecules19022199
Molecular Weight 816.591 g/mol
Solvent DMSO-D6
Source File Reference UWBT14607