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5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1H-pyrazole
SpectraBase Compound ID LLOWFAhLv29
InChI InChI=1S/C21H21Cl3N2/c1-2-3-4-5-6-18-14-21(15-7-9-16(22)10-8-15)26(25-18)20-12-11-17(23)13-19(20)24/h7-14H,2-6H2,1H3
InChIKey AFGZZNBQSVRQPB-UHFFFAOYSA-N
Mol Weight 407.77 g/mol
Molecular Formula C21H21Cl3N2
Exact Mass 406.077032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qw0Vuw779Q
Name 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1H-pyrazole
Alternate Name(s) 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexylpyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21Cl3N2
InChI InChI=1S/C21H21Cl3N2/c1-2-3-4-5-6-18-14-21(15-7-9-16(22)10-8-15)26(25-18)20-12-11-17(23)13-19(20)24/h7-14H,2-6H2,1H3
InChIKey AFGZZNBQSVRQPB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.055
Molecular Weight 407.772 g/mol
SMILES c1(-c2ccc(cc2)Cl)cc(n[n]1-c1ccc(cc1Cl)Cl)CCCCCC
SPLASH splash10-0ap0-4409500000-de85858d377b6275a49a
Source of Spectrum G2-21-1713-2c
Wiley ID 1754108