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

*Links on SpectraBase are not permalinks.

Toluene-4-sulfonic acid 3-quinoxalin-2-yl-phenyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Toluene-4-sulfonic acid 3-quinoxalin-2-yl-phenyl ester
SpectraBase Compound ID 74kfq0VoHZd
InChI InChI=1S/C21H16N2O3S/c1-15-9-11-18(12-10-15)27(24,25)26-17-6-4-5-16(13-17)21-14-22-19-7-2-3-8-20(19)23-21/h2-14H,1H3
InChIKey VBYAQBFANYEKNA-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C21H16N2O3S
Exact Mass 376.088164 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 2sgwz2VOwts
Name Toluene-4-sulfonic acid 3-quinoxalin-2-yl-phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.088163554 u
Formula C21H16N2O3S
InChI InChI=1S/C21H16N2O3S/c1-15-9-11-18(12-10-15)27(24,25)26-17-6-4-5-16(13-17)21-14-22-19-7-2-3-8-20(19)23-21/h2-14H,1H3
InChIKey VBYAQBFANYEKNA-UHFFFAOYSA-N
Molecular Weight 376.430 g/mol
SMILES C1=CC2=C(N=C(C=3C=C(C=CC3)OS(C=3C=CC(C)=CC3)(=O)=O)C=N2)C=C1