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(5R)-{2-[3,5-Di(4-fluorophenyl)-4,5-dihydropyrazol-1-yl]-4-methylthiazol-5-yl}-(4-methoxyphenyl)diazene
SpectraBase Compound ID Cevcuj0Ula4
InChI InChI=1S/C26H21F2N5OS/c1-16-25(31-30-21-11-13-22(34-2)14-12-21)35-26(29-16)33-24(18-5-9-20(28)10-6-18)15-23(32-33)17-3-7-19(27)8-4-17/h3-14,24H,15H2,1-2H3/t24-/m1/s1
InChIKey JEGQUOPSGBVWQU-XMMPIXPASA-N
Mol Weight 489.54 g/mol
Molecular Formula C26H21F2N5OS
Exact Mass 489.143488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDcHKHMO4NE
Name (5R)-{2-[3,5-Di(4-fluorophenyl)-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 C26H21F2N5OS
InChI InChI=1S/C26H21F2N5OS/c1-16-25(31-30-21-11-13-22(34-2)14-12-21)35-26(29-16)33-24(18-5-9-20(28)10-6-18)15-23(32-33)17-3-7-19(27)8-4-17/h3-14,24H,15H2,1-2H3/t24-/m1/s1
InChIKey JEGQUOPSGBVWQU-XMMPIXPASA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 489.545 g/mol
SMILES c1(F)ccc(cc1)C1=NN([C@](C1)(c1ccc(F)cc1)[H])c1sc(c(n1)C)N=Nc1ccc(cc1)OC
SPLASH splash10-052r-4910800000-5fac4846d6c73feaa0a1
Source of Spectrum Y-54-1980-14f
Wiley ID 1878386