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

*Links on SpectraBase are not permalinks.
#6A;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]-BUTYL]-5-OXO-4,5-
SpectraBase Compound ID EjXC1ygYKDj
InChI InChI=1S/C30H38N12O4S2/c1-19-7-11-23(12-8-19)31-27(47)35-33-25(43)17-41-29(45)39(21(3)37-41)15-5-6-16-40-22(4)38-42(30(40)46)18-26(44)34-36-28(48)32-24-13-9-20(2)10-14-24/h7-14H,5-6,15-18H2,1-4H3,(H,33,43)(H,34,44)(H2,31,35,47)(H2,32,36,48)
InChIKey NCRMTGRFOPFLGZ-UHFFFAOYSA-N
Mol Weight 694.8 g/mol
Molecular Formula C30H38N12O4S2
Exact Mass 694.25804 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 DToZTRTZgpy
Name #6A;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]-BUTYL]-5-OXO-4,5-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38N12O4S2
InChI InChI=1S/C30H38N12O4S2/c1-19-7-11-23(12-8-19)31-27(47)35-33-25(43)17-41-29(45)39(21(3)37-41)15-5-6-16-40-22(4)38-42(30(40)46)18-26(44)34-36-28(48)32-24-13-9-20(2)10-14-24/h7-14H,5-6,15-18H2,1-4H3,(H,33,43)(H,34,44)(H2,31,35,47)(H2,32,36,48)
InChIKey NCRMTGRFOPFLGZ-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 694.830 g/mol
Solvent DMSO-D6
Source File Reference UWBT14602