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(5R)-2-[3,5-Di(4-fluorophenyl)-4,5-dihydropyrazol-1-yl]-4-(4-bromophenyl)thiazole
SpectraBase Compound ID 4JvyM59Choi
InChI InChI=1S/C24H16BrF2N3S/c25-18-7-1-16(2-8-18)22-14-31-24(28-22)30-23(17-5-11-20(27)12-6-17)13-21(29-30)15-3-9-19(26)10-4-15/h1-12,14,23H,13H2/t23-/m1/s1
InChIKey KKCCKKPPQPORIQ-HSZRJFAPSA-N
Mol Weight 496.37 g/mol
Molecular Formula C24H16BrF2N3S
Exact Mass 495.021638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZRDRG1dHh3
Name (5R)-2-[3,5-Di(4-fluorophenyl)-4,5-dihydropyrazol-1-yl]-4-(4-bromophenyl)thiazole
Appearance Buff crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16BrF2N3S
InChI InChI=1S/C24H16BrF2N3S/c25-18-7-1-16(2-8-18)22-14-31-24(28-22)30-23(17-5-11-20(27)12-6-17)13-21(29-30)15-3-9-19(26)10-4-15/h1-12,14,23H,13H2/t23-/m1/s1
InChIKey KKCCKKPPQPORIQ-HSZRJFAPSA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2794
Molecular Weight 496.374 g/mol
SMILES c1(Br)ccc(cc1)-c1nc(sc1)N1N=C(C[C@@]1(c1ccc(cc1)F)[H])c1ccc(cc1)F
SPLASH splash10-006t-6700900000-3a3ab4a960a2e9d9a4c5
Source of Spectrum Y-54-1978-5b
Wiley ID 1878394