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(5R)-{2-[5-(4-Fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-4-methylthiazol-5-yl}-(4-methoxyphenyl)diazene
SpectraBase Compound ID 5jWTNoacQTb
InChI InChI=1S/C26H22FN5OS/c1-17-25(30-29-21-12-14-22(33-2)15-13-21)34-26(28-17)32-24(19-8-10-20(27)11-9-19)16-23(31-32)18-6-4-3-5-7-18/h3-15,24H,16H2,1-2H3/t24-/m1/s1
InChIKey CFFWSZLKWVQTAY-XMMPIXPASA-N
Mol Weight 471.55 g/mol
Molecular Formula C26H22FN5OS
Exact Mass 471.15291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IU6GcSYmPpb
Name (5R)-{2-[5-(4-Fluorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-4-methylthiazol-5-yl}-(4-methoxyphenyl)diazene
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22FN5OS
InChI InChI=1S/C26H22FN5OS/c1-17-25(30-29-21-12-14-22(33-2)15-13-21)34-26(28-17)32-24(19-8-10-20(27)11-9-19)16-23(31-32)18-6-4-3-5-7-18/h3-15,24H,16H2,1-2H3/t24-/m1/s1
InChIKey CFFWSZLKWVQTAY-XMMPIXPASA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 471.554 g/mol
SMILES c1(F)ccc(cc1)[C@]1(CC(=NN1c1sc(c(n1)C)N=Nc1ccc(cc1)OC)c1ccccc1)[H]
SPLASH splash10-0adi-9200000000-7e4be8a32df927791098
Source of Spectrum Y-54-1980-14e
Wiley ID 1878385