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(5E)-5-(4-ethoxybenzylidene)-2-[4-(2-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID D6udZtu09A3
InChI InChI=1S/C23H25N3O2S/c1-3-28-19-10-8-18(9-11-19)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)20-7-5-4-6-17(20)2/h4-11,16H,3,12-15H2,1-2H3/b21-16+
InChIKey VICATTKPIRWZTI-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 JNjYu7CGvkA
Name (5E)-5-(4-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/c1-3-28-19-10-8-18(9-11-19)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)20-7-5-4-6-17(20)2/h4-11,16H,3,12-15H2,1-2H3/b21-16+
InChIKey VICATTKPIRWZTI-LTGZKZEYSA-N
Molecular Weight 407.532 g/mol
SMILES C=1C=CC(N2CCN(C3=NC(\C(=C/C=4C=CC(=CC4)OCC)S3)=O)CC2)=C(C)C1