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

*Links on SpectraBase are not permalinks.
Quinoxaline, 2-[4-(4-ethynylphenoxy)phenyl]-3-phenyl-
SpectraBase Compound ID K7hcRMdnnSC
InChI InChI=1S/C28H18N2O/c1-2-20-12-16-23(17-13-20)31-24-18-14-22(15-19-24)28-27(21-8-4-3-5-9-21)29-25-10-6-7-11-26(25)30-28/h1,3-19H
InChIKey JVDUEHWLZAGSGX-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C28H18N2O
Exact Mass 398.141913 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 vi6SYMg310
Name Quinoxaline, 2-[4-(4-ethynylphenoxy)phenyl]-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.141913207 u
Formula C28H18N2O
InChI InChI=1S/C28H18N2O/c1-2-20-12-16-23(17-13-20)31-24-18-14-22(15-19-24)28-27(21-8-4-3-5-9-21)29-25-10-6-7-11-26(25)30-28/h1,3-19H
InChIKey JVDUEHWLZAGSGX-UHFFFAOYSA-N
Molecular Weight 398.465 g/mol
SMILES C1(=NC=2C(N=C1C1=CC=CC=C1)=CC=CC2)C1=CC=C(OC=2C=CC(C#C)=CC2)C=C1