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(5R)-{2-[3,5-Di(4-fluorophenyl)-4,5-dihydropyrazol-1-yl]-4-methylthiazol-5-yl}-p-tolyldiazene
SpectraBase Compound ID IzBrVhBansp
InChI InChI=1S/C26H21F2N5S/c1-16-3-13-22(14-4-16)30-31-25-17(2)29-26(34-25)33-24(19-7-11-21(28)12-8-19)15-23(32-33)18-5-9-20(27)10-6-18/h3-14,24H,15H2,1-2H3/t24-/m1/s1
InChIKey KIKQCUFWQMSQOU-XMMPIXPASA-N
Mol Weight 473.55 g/mol
Molecular Formula C26H21F2N5S
Exact Mass 473.148573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cNkS7vHgt1
Name (5R)-{2-[3,5-Di(4-fluorophenyl)-4,5-dihydropyrazol-1-yl]-4-methylthiazol-5-yl}-p-tolyldiazene
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21F2N5S
InChI InChI=1S/C26H21F2N5S/c1-16-3-13-22(14-4-16)30-31-25-17(2)29-26(34-25)33-24(19-7-11-21(28)12-8-19)15-23(32-33)18-5-9-20(27)10-6-18/h3-14,24H,15H2,1-2H3/t24-/m1/s1
InChIKey KIKQCUFWQMSQOU-XMMPIXPASA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 473.546 g/mol
SMILES c1(F)ccc(cc1)C1=NN([C@](C1)(c1ccc(F)cc1)[H])c1sc(c(n1)C)N=Nc1ccc(cc1)C
SPLASH splash10-00fu-9200300000-57629e27d509826f1dd7
Source of Spectrum Y-54-1980-14d
Wiley ID 1878384