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(5R)-5-Benzylidene-2-[5-(4-fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]thiazol-4-one
SpectraBase Compound ID 1T7w8I4Mw5F
InChI InChI=1S/C25H18FN3OS/c26-20-13-11-19(12-14-20)22-16-21(18-9-5-2-6-10-18)28-29(22)25-27-24(30)23(31-25)15-17-7-3-1-4-8-17/h1-15,22H,16H2/t22-/m1/s1
InChIKey NQELSNGMLNQCMY-JOCHJYFZSA-N
Mol Weight 427.5 g/mol
Molecular Formula C25H18FN3OS
Exact Mass 427.115462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APmA9kJBVrO
Name (5R)-5-Benzylidene-2-[5-(4-fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]thiazol-4-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18FN3OS
InChI InChI=1S/C25H18FN3OS/c26-20-13-11-19(12-14-20)22-16-21(18-9-5-2-6-10-18)28-29(22)25-27-24(30)23(31-25)15-17-7-3-1-4-8-17/h1-15,22H,16H2/t22-/m1/s1
InChIKey NQELSNGMLNQCMY-JOCHJYFZSA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 427.497 g/mol
SMILES c1(ccccc1)C=C1C(N=C(S1)N1N=C(C[C@@]1(c1ccc(cc1)F)[H])c1ccccc1)=O
SPLASH splash10-001i-1901100000-ae8c00e257238820bf0e
Source of Spectrum Y-54-1979-7a
Wiley ID 1878395