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(5E)-2-[4-(3-chlorophenyl)-1-piperazinyl]-5-(4-ethoxybenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID 7vlfSQlE1mu
InChI InChI=1S/C22H22ClN3O2S/c1-2-28-19-8-6-16(7-9-19)14-20-21(27)24-22(29-20)26-12-10-25(11-13-26)18-5-3-4-17(23)15-18/h3-9,14-15H,2,10-13H2,1H3/b20-14+
InChIKey CMKNGDOSONWZDB-XSFVSMFZSA-N
Mol Weight 427.95 g/mol
Molecular Formula C22H22ClN3O2S
Exact Mass 427.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWLSK2zJvFi
Name (5E)-2-[4-(3-Chlorophenyl)-1-piperazinyl]-5-(4-ethoxybenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.112125832 u
Formula C22H22ClN3O2S
InChI InChI=1S/C22H22ClN3O2S/c1-2-28-19-8-6-16(7-9-19)14-20-21(27)24-22(29-20)26-12-10-25(11-13-26)18-5-3-4-17(23)15-18/h3-9,14-15H,2,10-13H2,1H3/b20-14+
InChIKey CMKNGDOSONWZDB-XSFVSMFZSA-N
Molecular Weight 427.950 g/mol
SMILES CCOC1=CC=C(\C=C/2C(N=C(S2)N2CCN(CC2)C2=CC(Cl)=CC=C2)=O)C=C1