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

*Links on SpectraBase are not permalinks.

4-methyl-5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4H-1,2,4-triazole-3-acetonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

4-methyl-5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4H-1,2,4-triazole-3-acetonitrile
SpectraBase Compound ID 8mu4cgkNc5t
InChI InChI=1S/C17H22N4S/c1-10-11(2)13(4)15(14(5)12(10)3)9-22-17-20-19-16(7-8-18)21(17)6/h7,9H2,1-6H3
InChIKey HANDMCWHWMILMT-UHFFFAOYSA-N
Mol Weight 314.45 g/mol
Molecular Formula C17H22N4S
Exact Mass 314.156518 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 Jw2nvMMG0Si
Name 4-Methyl-5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4H-1,2,4-triazole-3-acetonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.156517898 u
Formula C17H22N4S
InChI InChI=1S/C17H22N4S/c1-10-11(2)13(4)15(14(5)12(10)3)9-22-17-20-19-16(7-8-18)21(17)6/h7,9H2,1-6H3
InChIKey HANDMCWHWMILMT-UHFFFAOYSA-N
Molecular Weight 314.451 g/mol
SMILES C1(=C(C(=C(C(=C1C)C)C)C)C)CSC1=NN=C(N1C)CC#N