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

*Links on SpectraBase are not permalinks.

N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-N'-(3,4-dimethylphenyl)urea

View entire compound with spectra: 2 NMR

N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-N'-(3,4-dimethylphenyl)urea
SpectraBase Compound ID 9wRJMFpmvlk
InChI InChI=1S/C21H24N4O2S/c1-4-5-11-27-18-8-6-7-16(13-18)19-24-25-21(28-19)23-20(26)22-17-10-9-14(2)15(3)12-17/h6-10,12-13H,4-5,11H2,1-3H3,(H2,22,23,25,26)
InChIKey XCUHFVQHPYWKLX-UHFFFAOYSA-N
Mol Weight 396.51 g/mol
Molecular Formula C21H24N4O2S
Exact Mass 396.161997 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 3wZ3kcr3kQ1
Name N-[5-(3-Butoxyphenyl)-1,3,4-thiadiazol-2-yl]-N'-(3,4-dimethylphenyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.161997201 u
Formula C21H24N4O2S
InChI InChI=1S/C21H24N4O2S/c1-4-5-11-27-18-8-6-7-16(13-18)19-24-25-21(28-19)23-20(26)22-17-10-9-14(2)15(3)12-17/h6-10,12-13H,4-5,11H2,1-3H3,(H2,22,23,25,26)
InChIKey XCUHFVQHPYWKLX-UHFFFAOYSA-N
Molecular Weight 396.509 g/mol
SMILES N(C=1SC(=NN1)C=1C=C(OCCCC)C=CC1)C(NC1=CC(C)=C(C=C1)C)=O