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(5E)-5-(2-ethoxybenzylidene)-2-[4-(2-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID C7aI7tdP7g6
InChI InChI=1S/C23H25N3O2S/c1-3-28-20-11-7-5-9-18(20)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)19-10-6-4-8-17(19)2/h4-11,16H,3,12-15H2,1-2H3/b21-16+
InChIKey GBKFTTMLCBKVCH-LTGZKZEYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C23H25N3O2S
Exact Mass 407.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZBhEj3eIad
Name (5E)-5-(2-Ethoxybenzylidene)-2-[4-(2-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.166748229 u
Formula C23H25N3O2S
InChI InChI=1S/C23H25N3O2S/c1-3-28-20-11-7-5-9-18(20)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)19-10-6-4-8-17(19)2/h4-11,16H,3,12-15H2,1-2H3/b21-16+
InChIKey GBKFTTMLCBKVCH-LTGZKZEYSA-N
Molecular Weight 407.532 g/mol
SMILES C=1C=CC(N2CCN(C3=NC(\C(=C/C4=C(OCC)C=CC=C4)S3)=O)CC2)=C(C)C1