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2-(Naphthalen-2-yl)-1-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanone
SpectraBase Compound ID 1a4Ut5rUBv3
InChI InChI=1S/C22H20F3N3O/c23-22(24,25)19-6-3-9-26-21(19)28-12-10-27(11-13-28)20(29)15-16-7-8-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2
InChIKey LABLZHCGXNUJPB-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C22H20F3N3O
Exact Mass 399.155847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VC68cFSsip
Name 2-(Naphthalen-2-yl)-1-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanone
Appearance Yellow amorphous solid
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Formula C22H20F3N3O
InChI InChI=1S/C22H20F3N3O/c23-22(24,25)19-6-3-9-26-21(19)28-12-10-27(11-13-28)20(29)15-16-7-8-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2
InChIKey LABLZHCGXNUJPB-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Molecular Weight 399.417 g/mol
Quality 440
Reported Formula C22H20F3N3O
SMILES C12=C(C=CC=C2)C=C(C=C1)CC(=O)N1CCN(CC1)C1=NC=CC=C1C(F)(F)F
SPLASH splash10-00ku-1920000000-4258a036e6d8a6258f2b
Source of Spectrum ACI-61-SM34-9i (DOI: 10.1002/anie.202205440)
Wiley ID 1897902