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(5E)-2-[4-(4-chlorophenyl)-1-piperazinyl]-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID I5cGdz1ZTao
InChI InChI=1S/C23H24ClN3O2S/c1-2-15-29-20-9-3-17(4-10-20)16-21-22(28)25-23(30-21)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h3-10,16H,2,11-15H2,1H3/b21-16+
InChIKey BEDYUXPPYMTMIQ-LTGZKZEYSA-N
Mol Weight 441.98 g/mol
Molecular Formula C23H24ClN3O2S
Exact Mass 441.127776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfmG88cISLG
Name (5E)-2-[4-(4-Chlorophenyl)-1-piperazinyl]-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.127775897 u
Formula C23H24ClN3O2S
InChI InChI=1S/C23H24ClN3O2S/c1-2-15-29-20-9-3-17(4-10-20)16-21-22(28)25-23(30-21)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h3-10,16H,2,11-15H2,1H3/b21-16+
InChIKey BEDYUXPPYMTMIQ-LTGZKZEYSA-N
Molecular Weight 441.977 g/mol
SMILES CCCOC=1C=CC(\C=C/2C(N=C(S2)N2CCN(CC2)C2=CC=C(C=C2)Cl)=O)=CC1