1-(4-Chloro-3-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine

SpectraBase Compound ID	4grb6XKq9sv
InChI	InChI=1S/C18H17ClF3N3O2/c19-16-5-4-13(10-17(16)25(26)27)12-23-6-8-24(9-7-23)15-3-1-2-14(11-15)18(20,21)22/h1-5,10-11H,6-9,12H2
InChIKey	PWTCGONEOKKOHG-UHFFFAOYSA-N Google Search
Mol Weight	399.8 g/mol
Molecular Formula	C18H17ClF3N3O2
Exact Mass	399.096139 g/mol

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SpectraBase Spectrum ID	9c4AU4vECJV
Name	1-(4-Chloro-3-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Alternate Name(s)	1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine 1-[(4-chloro-3-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Piperazine, 1-(4-chloro-3-nitrobenzyl)-4-(3-trifluoromethylphenyl)- 1-[(4-chloro-3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CAS Registry Number	331855-93-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H17ClF3N3O2
InChI	InChI=1S/C18H17ClF3N3O2/c19-16-5-4-13(10-17(16)25(26)27)12-23-6-8-24(9-7-23)15-3-1-2-14(11-15)18(20,21)22/h1-5,10-11H,6-9,12H2
InChIKey	PWTCGONEOKKOHG-UHFFFAOYSA-N
Molecular Weight	399.801 g/mol
SMILES	C1N(CCN(C1)Cc1ccc(c(c1)N(=O)=O)Cl)c1cccc(c1)C(F)(F)F
SPLASH	splash10-05fs-9610000000-5529ec6b4c2fe924bd89
Source of Spectrum	AD-0-2532-0
Wiley ID	1425662