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(5R)-2-[5-(4-Fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-5-(4-methoxybenzylidene)thiazol-4-one
SpectraBase Compound ID KxbfU2LSi0Q
InChI InChI=1S/C26H20FN3O2S/c1-32-21-13-7-17(8-14-21)15-24-25(31)28-26(33-24)30-23(19-9-11-20(27)12-10-19)16-22(29-30)18-5-3-2-4-6-18/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKey HBMNQPBBJICXLK-HSZRJFAPSA-N
Mol Weight 457.52 g/mol
Molecular Formula C26H20FN3O2S
Exact Mass 457.126026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96ugTOUHhIm
Name (5R)-2-[5-(4-Fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-5-(4-methoxybenzylidene)thiazol-4-one
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20FN3O2S
InChI InChI=1S/C26H20FN3O2S/c1-32-21-13-7-17(8-14-21)15-24-25(31)28-26(33-24)30-23(19-9-11-20(27)12-10-19)16-22(29-30)18-5-3-2-4-6-18/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKey HBMNQPBBJICXLK-HSZRJFAPSA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 457.523 g/mol
SMILES c1(F)ccc(cc1)[C@]1(CC(=NN1C=1SC(C(N1)=O)=Cc1ccc(cc1)OC)c1ccccc1)[H]
SPLASH splash10-03di-0900100000-3680f155979ec3b1f5c6
Source of Spectrum Y-54-1979-7e
Wiley ID 1878399