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

*Links on SpectraBase are not permalinks.
(5Z)-3-(4-ethoxyphenyl)-5-[4-(octyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
SpectraBase Compound ID HpNoLveRUa7
InChI InChI=1S/C26H31NO4S/c1-3-5-6-7-8-9-18-31-23-14-10-20(11-15-23)19-24-25(28)27(26(29)32-24)21-12-16-22(17-13-21)30-4-2/h10-17,19H,3-9,18H2,1-2H3/b24-19-
InChIKey HQBHVTGNJNEYKV-CLCOLTQESA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H31NO4S
Exact Mass 453.19738 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 JG7ADxG1A4s
Name (5Z)-3-(4-Ethoxyphenyl)-5-[4-(octyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.197379652 u
Formula C26H31NO4S
InChI InChI=1S/C26H31NO4S/c1-3-5-6-7-8-9-18-31-23-14-10-20(11-15-23)19-24-25(28)27(26(29)32-24)21-12-16-22(17-13-21)30-4-2/h10-17,19H,3-9,18H2,1-2H3/b24-19-
InChIKey HQBHVTGNJNEYKV-CLCOLTQESA-N
Molecular Weight 453.597 g/mol
SMILES CCCCCCCCOC1=CC=C(\C=C\2C(N(C(S2)=O)C2=CC=C(C=C2)OCC)=O)C=C1