For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

#6B;N-(PARA-TOLYL)-2-[2-[3-METHYL-4-[4-[3-METHYL-5-OXO-1-[2-OXO-2-[2-(PARA-TOLYLCARBAMOTHIOYL)-HYDRAZINYL]-ETHYL]-1H-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-5-OXO-4,5-

View entire compound with spectra: 1 NMR

#6B;N-(PARA-TOLYL)-2-[2-[3-METHYL-4-[4-[3-METHYL-5-OXO-1-[2-OXO-2-[2-(PARA-TOLYLCARBAMOTHIOYL)-HYDRAZINYL]-ETHYL]-1H-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-5-OXO-4,5-
SpectraBase Compound ID HDTXaQiXrn5
InChI InChI=1S/C32H42N12O4S2/c1-21-9-13-25(14-10-21)33-29(49)37-35-27(45)19-43-31(47)41(23(3)39-43)17-7-5-6-8-18-42-24(4)40-44(32(42)48)20-28(46)36-38-30(50)34-26-15-11-22(2)12-16-26/h9-16H,5-8,17-20H2,1-4H3,(H,35,45)(H,36,46)(H2,33,37,49)(H2,34,38,50)
InChIKey UCDRFSKLXBIJSE-UHFFFAOYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C32H42N12O4S2
Exact Mass 722.28934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3CyvyePHGi8
Name #6B;N-(PARA-TOLYL)-2-[2-[3-METHYL-4-[4-[3-METHYL-5-OXO-1-[2-OXO-2-[2-(PARA-TOLYLCARBAMOTHIOYL)-HYDRAZINYL]-ETHYL]-1H-1,2,4-TRIAZOLE-4(5H)-YL]-HEXYL]-5-OXO-4,5-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42N12O4S2
InChI InChI=1S/C32H42N12O4S2/c1-21-9-13-25(14-10-21)33-29(49)37-35-27(45)19-43-31(47)41(23(3)39-43)17-7-5-6-8-18-42-24(4)40-44(32(42)48)20-28(46)36-38-30(50)34-26-15-11-22(2)12-16-26/h9-16H,5-8,17-20H2,1-4H3,(H,35,45)(H,36,46)(H2,33,37,49)(H2,34,38,50)
InChIKey UCDRFSKLXBIJSE-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 722.883 g/mol
Solvent DMSO-D6
Source File Reference UWBT14603