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

*Links on SpectraBase are not permalinks.

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

View entire compound with spectra: 2 NMR

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
SpectraBase Compound ID KyS5DJb8ley
InChI InChI=1S/C22H25N3O4S/c1-22(2,3)15-9-7-13(8-10-15)20-24-25-21(30-20)23-19(26)14-11-16(27-4)18(29-6)17(12-14)28-5/h7-12H,1-6H3,(H,23,25,26)
InChIKey JRFKGSKCIBEAQW-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C22H25N3O4S
Exact Mass 427.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BY5Dv3axuGc
Name N-[5-(4-Tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.156577467 u
Formula C22H25N3O4S
InChI InChI=1S/C22H25N3O4S/c1-22(2,3)15-9-7-13(8-10-15)20-24-25-21(30-20)23-19(26)14-11-16(27-4)18(29-6)17(12-14)28-5/h7-12H,1-6H3,(H,23,25,26)
InChIKey JRFKGSKCIBEAQW-UHFFFAOYSA-N
Molecular Weight 427.519 g/mol
SMILES N(C=1SC(=NN1)C1=CC=C(C(C)(C)C)C=C1)C(C1=CC(OC)=C(C(=C1)OC)OC)=O