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1-[(3'-Trifluoromethyl)phenyl]-4-nicotinoylpiperazine
SpectraBase Compound ID 5M2uIvpZMG7
InChI InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2
InChIKey TXIRGEIUXFTVHL-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C17H16F3N3O
Exact Mass 335.124547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zyYSic03E8
Name 1-[(3'-Trifluoromethyl)phenyl]-4-nicotinoylpiperazine
Alternate Name(s) 3-Pyridinyl-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone 3-Pyridyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
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Formula C17H16F3N3O
InChI InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2
InChIKey TXIRGEIUXFTVHL-UHFFFAOYSA-N
Molecular Weight 335.330 g/mol
SMILES C(N1CCN(CC1)c1cc(C(F)(F)F)ccc1)(c1cnccc1)=O
SPLASH splash10-0udj-0981000000-7f8bbf4c788cd6118398
Source of Spectrum G-59-2345-IIc
Wiley ID 748774