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#5B;N-(4-BROMOPHENYL)-2-[2-[4-[6-[1-[2-[2-(4-FLUOROPHENYLCARBONOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-4,5-DIHYDROXY-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-3

View entire compound with spectra: 1 NMR

#5B;N-(4-BROMOPHENYL)-2-[2-[4-[6-[1-[2-[2-(4-FLUOROPHENYLCARBONOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-4,5-DIHYDROXY-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-3
SpectraBase Compound ID 3mzFqbUR5YC
InChI InChI=1S/C30H36Br2N12O4S2/c1-19-39-43(17-25(45)35-37-27(49)33-23-11-7-21(31)8-12-23)29(47)41(19)15-5-3-4-6-16-42-20(2)40-44(30(42)48)18-26(46)36-38-28(50)34-24-13-9-22(32)10-14-24/h7-14H,3-6,15-18H2,1-2H3,(H,35,45)(H,36,46)(H2,33,37,49)(H2,34,38,50)
InChIKey XDSAYDBUFSJUKL-UHFFFAOYSA-N
Mol Weight 852.6 g/mol
Molecular Formula C30H36Br2N12O4S2
Exact Mass 850.079066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cgb7hTkP4uI
Name #5B;N-(4-BROMOPHENYL)-2-[2-[4-[6-[1-[2-[2-(4-FLUOROPHENYLCARBONOTHIOYL)-HYDRAZINYL]-2-OXOETHYL]-3-METHYL-5-OXO-4,5-DIHYDROXY-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36Br2N12O4S2
InChI InChI=1S/C30H36Br2N12O4S2/c1-19-39-43(17-25(45)35-37-27(49)33-23-11-7-21(31)8-12-23)29(47)41(19)15-5-3-4-6-16-42-20(2)40-44(30(42)48)18-26(46)36-38-28(50)34-24-13-9-22(32)10-14-24/h7-14H,3-6,15-18H2,1-2H3,(H,35,45)(H,36,46)(H2,33,37,49)(H2,34,38,50)
InChIKey XDSAYDBUFSJUKL-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 852.622 g/mol
Solvent DMSO-D6
Source File Reference UWBT14601