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

*Links on SpectraBase are not permalinks.

3-(p-tert-butylphenyl)-4-(p-cumenyl)-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(p-tert-butylphenyl)-4-(p-cumenyl)-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID BPx1sjx0EZ6
InChI InChI=1S/C28H27F3N4O2S/c1-17(2)18-8-13-22(14-9-18)34-25(19-6-10-20(11-7-19)27(3,4)5)32-33-26(34)38-24-15-12-21(28(29,30)31)16-23(24)35(36)37/h6-17H,1-5H3
InChIKey SSJOMQPMYXNJPT-UHFFFAOYSA-N
Mol Weight 540.61 g/mol
Molecular Formula C28H27F3N4O2S
Exact Mass 540.180682 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H 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 EzUheHF3dVu
Name 3-(p-tert-butylphenyl)-4-(p-cumenyl)-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27F3N4O2S
InChI InChI=1S/C28H27F3N4O2S/c1-17(2)18-8-13-22(14-9-18)34-25(19-6-10-20(11-7-19)27(3,4)5)32-33-26(34)38-24-15-12-21(28(29,30)31)16-23(24)35(36)37/h6-17H,1-5H3
InChIKey SSJOMQPMYXNJPT-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46850M
Solvent CDCl3