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4-Chloro-N,N-bis(2-chloroethyl)-5-[3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]thiazol-2-amine
SpectraBase Compound ID BELkun6Zme2
InChI InChI=1S/C22H20Cl3FN4S/c23-10-12-29(13-11-24)22-27-21(25)20(31-22)19-14-18(15-6-8-16(26)9-7-15)28-30(19)17-4-2-1-3-5-17/h1-9,19H,10-14H2
InChIKey MSSNHWLILJPSIP-UHFFFAOYSA-N
Mol Weight 497.85 g/mol
Molecular Formula C22H20Cl3FN4S
Exact Mass 496.045829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TJAIjQX32
Name 4-Chloro-N,N-bis(2-chloroethyl)-5-[3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]thiazol-2-amine
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20Cl3FN4S
InChI InChI=1S/C22H20Cl3FN4S/c23-10-12-29(13-11-24)22-27-21(25)20(31-22)19-14-18(15-6-8-16(26)9-7-15)28-30(19)17-4-2-1-3-5-17/h1-9,19H,10-14H2
InChIKey MSSNHWLILJPSIP-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900351
Molecular Weight 497.847 g/mol
SMILES c1(sc(c(n1)Cl)C1CC(=NN1c1ccccc1)c1ccc(cc1)F)N(CCCl)CCCl
SPLASH splash10-052f-9000000000-2487f8fbb3092d8dcd75
Source of Spectrum APC-353-17-8c
Wiley ID 1839669