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

*Links on SpectraBase are not permalinks.
3-[(3,5-DI-TERT.-BUTYL-4-HYDROXYBENZYLTHIO)-METHYL]-4-(3-FLUOROPHENYL)-1H-1,2,4-TRIAZOLE-5-(4H)-THIONE
SpectraBase Compound ID KlhQHiQxTaH
InChI InChI=1S/C24H30FN3OS2/c1-23(2,3)18-10-15(11-19(21(18)29)24(4,5)6)13-31-14-20-26-27-22(30)28(20)17-9-7-8-16(25)12-17/h7-12,29H,13-14H2,1-6H3,(H,27,30)
InChIKey KHZZBMMFPAFEEL-UHFFFAOYSA-N
Mol Weight 459.64 g/mol
Molecular Formula C24H30FN3OS2
Exact Mass 459.181433 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 ABa1d5bNWTs
Name 3-[(3,5-DI-TERT.-BUTYL-4-HYDROXYBENZYLTHIO)-METHYL]-4-(3-FLUOROPHENYL)-1H-1,2,4-TRIAZOLE-5-(4H)-THIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30FN3OS2
InChI InChI=1S/C24H30FN3OS2/c1-23(2,3)18-10-15(11-19(21(18)29)24(4,5)6)13-31-14-20-26-27-22(30)28(20)17-9-7-8-16(25)12-17/h7-12,29H,13-14H2,1-6H3,(H,27,30)
InChIKey KHZZBMMFPAFEEL-UHFFFAOYSA-N
Literature Reference Author W.A.YEHYE,N.A.RAHMAN,A.A.ALHADI,H.KHALEDI,S.W.NG,A.ARIFFIN
Literature Reference Citation MOLECULES,17,7645(2012)
Literature Reference DOI 10.3390/molecules17077645
Molecular Weight 459.640 g/mol
Sample ID 1007
Solvent CDCl3