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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
Mol Weight 399.8 g/mol
Molecular Formula C18H17ClF3N3O2
Exact Mass 399.096139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c4AU4vECJV
Name 1-(4-Chloro-3-nitrobenzyl)-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
Synonyms 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
Wiley ID 1425662