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

*Links on SpectraBase are not permalinks.

Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 1ceTo39aPXC
InChI InChI=1S/C21H22N8OS/c1-14-8-7-9-15(2)19(14)22-18(30)13-31-21-25-23-17(28(21)3)12-29-26-20(24-27-29)16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,22,30)
InChIKey FHEPMPYVCNUDAN-UHFFFAOYSA-N
Mol Weight 434.52 g/mol
Molecular Formula C21H22N8OS
Exact Mass 434.163729 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 ImrgZbFbWuD
Name Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.163728533 u
Formula C21H22N8OS
InChI InChI=1S/C21H22N8OS/c1-14-8-7-9-15(2)19(14)22-18(30)13-31-21-25-23-17(28(21)3)12-29-26-20(24-27-29)16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,22,30)
InChIKey FHEPMPYVCNUDAN-UHFFFAOYSA-N
Molecular Weight 434.522 g/mol
SMILES C=1C=C(C=CC1)C=1N=NN(N1)CC=1N(C(=NN1)SCC(=O)NC1=C(C=CC=C1C)C)C