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

*Links on SpectraBase are not permalinks.

5-Phenyl-2-(4-pyridyl)oxazole, p-toluene-sulfonic acid salt

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-Phenyl-2-(4-pyridyl)oxazole, p-toluene-sulfonic acid salt
SpectraBase Compound ID AHwpRE23ubb
InChI InChI=1S/C14H10N2O.C7H8O3S/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)
InChIKey PNIUSINMRMVPGA-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C21H18N2O4S
Exact Mass 394.098728 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 7a721i93QC9
Name 5-Phenyl-2-(4-pyridyl)oxazole, p-toluene-sulfonic acid salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.098728238 u
Formula C21H18N2O4S
InChI InChI=1S/C14H10N2O.C7H8O3S/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)
InChIKey PNIUSINMRMVPGA-UHFFFAOYSA-N
Molecular Weight 394.445 g/mol
SMILES C1(=NC=C(O1)C=1C=CC=CC1)C=1C=CN=CC1.C=1(S(=O)(=O)O)C=CC(=CC1)C