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4(5H)-thiazolone, 5-[[4-(1-methylethoxy)phenyl]methylene]-2-[4-(4-methylphenyl)-1-piperazinyl]-, (5E)-
SpectraBase Compound ID 4yXbqQ80tD7
InChI InChI=1S/C24H27N3O2S/c1-17(2)29-21-10-6-19(7-11-21)16-22-23(28)25-24(30-22)27-14-12-26(13-15-27)20-8-4-18(3)5-9-20/h4-11,16-17H,12-15H2,1-3H3/b22-16+
InChIKey QDSXYNZANBKYHW-CJLVFECKSA-N
Mol Weight 421.56 g/mol
Molecular Formula C24H27N3O2S
Exact Mass 421.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwKA8MiKE04
Name 4(5H)-Thiazolone, 5-[[4-(1-methylethoxy)phenyl]methylene]-2-[4-(4-methylphenyl)-1-piperazinyl]-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.182398293 u
Formula C24H27N3O2S
InChI InChI=1S/C24H27N3O2S/c1-17(2)29-21-10-6-19(7-11-21)16-22-23(28)25-24(30-22)27-14-12-26(13-15-27)20-8-4-18(3)5-9-20/h4-11,16-17H,12-15H2,1-3H3/b22-16+
InChIKey QDSXYNZANBKYHW-CJLVFECKSA-N
Molecular Weight 421.559 g/mol
SMILES CC(OC1=CC=C(\C=C/2C(N=C(S2)N2CCN(CC2)C=2C=CC(=CC2)C)=O)C=C1)C