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

*Links on SpectraBase are not permalinks.

2-(4-Bromo-phenyl)-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]oxadiazole

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

2-(4-Bromo-phenyl)-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]oxadiazole
SpectraBase Compound ID DJUpioW2FQg
InChI InChI=1S/C17H15BrN2O3S/c1-12-2-8-15(9-3-12)24(21,22)11-10-16-19-20-17(23-16)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKey ODVALYYWJMUIJE-UHFFFAOYSA-N
Mol Weight 407.28 g/mol
Molecular Formula C17H15BrN2O3S
Exact Mass 405.998677 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 B7wJAqV9DfP
Name 2-(4-Bromo-phenyl)-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]oxadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.998676522 u
Formula C17H15BrN2O3S
InChI InChI=1S/C17H15BrN2O3S/c1-12-2-8-15(9-3-12)24(21,22)11-10-16-19-20-17(23-16)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKey ODVALYYWJMUIJE-UHFFFAOYSA-N
Molecular Weight 407.282 g/mol
SMILES CC1=CC=C(S(CCC=2OC(C=3C=CC(=CC3)Br)=NN2)(=O)=O)C=C1