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

*Links on SpectraBase are not permalinks.
(3E,6E)-3,6-bis(4-ethoxybenzylidene)piperazine-2,5-quinone
SpectraBase Compound ID J9S53d96NqS
InChI InChI=1S/C22H22N2O4/c1-3-27-17-9-5-15(6-10-17)13-19-21(25)24-20(22(26)23-19)14-16-7-11-18(12-8-16)28-4-2/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,25)/b19-13+,20-14+
InChIKey ITACUZYKZQMZPS-IWGRKNQJSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ia36lDE15FZ
Name (3E,6E)-3,6-bis(4-Ethoxybenzylidene)piperazine-2,5-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-3-27-17-9-5-15(6-10-17)13-19-21(25)24-20(22(26)23-19)14-16-7-11-18(12-8-16)28-4-2/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,25)/b19-13+,20-14+
InChIKey ITACUZYKZQMZPS-IWGRKNQJSA-N
Molecular Weight 378.428 g/mol
SMILES C1(N\C(C(N\C1=C/C=1C=CC(=CC1)OCC)=O)=C/C=1C=CC(=CC1)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955489