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(5Z)-5-(2-butoxybenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID RwtXngwtiD
InChI InChI=1S/C25H26F3N3O2S/c1-2-3-15-33-21-10-5-4-7-18(21)16-22-23(32)29-24(34-22)31-13-11-30(12-14-31)20-9-6-8-19(17-20)25(26,27)28/h4-10,16-17H,2-3,11-15H2,1H3/b22-16-
InChIKey IAWXEWUDZYDAEK-JWGURIENSA-N
Mol Weight 489.56 g/mol
Molecular Formula C25H26F3N3O2S
Exact Mass 489.169783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5N7QLIz3zCU
Name (5Z)-5-(2-Butoxybenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]-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 489.169782750 u
Formula C25H26F3N3O2S
InChI InChI=1S/C25H26F3N3O2S/c1-2-3-15-33-21-10-5-4-7-18(21)16-22-23(32)29-24(34-22)31-13-11-30(12-14-31)20-9-6-8-19(17-20)25(26,27)28/h4-10,16-17H,2-3,11-15H2,1H3/b22-16-
InChIKey IAWXEWUDZYDAEK-JWGURIENSA-N
Molecular Weight 489.557 g/mol
SMILES C=1C=CC(\C=C\2C(N=C(S2)N2CCN(CC2)C2=CC(C(F)(F)F)=CC=C2)=O)=C(OCCCC)C1