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2-(4-Pyridin-2-ylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SpectraBase Compound ID DZdX8Nj7oix
InChI InChI=1S/C24H21F3N4OS/c25-24(26,27)17-8-9-21-19(15-17)31(18-5-1-2-6-20(18)33-21)23(32)16-29-11-13-30(14-12-29)22-7-3-4-10-28-22/h1-10,15H,11-14,16H2
InChIKey JLGKOPXKDAPDID-UHFFFAOYSA-N
Mol Weight 470.51 g/mol
Molecular Formula C24H21F3N4OS
Exact Mass 470.138817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77XZWbeZocB
Name 2-(4-Pyridin-2-ylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
Comments Computed using HOSE algorithm
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Exact Mass 470.138816974 u
Formula C24H21F3N4OS
InChI InChI=1S/C24H21F3N4OS/c25-24(26,27)17-8-9-21-19(15-17)31(18-5-1-2-6-20(18)33-21)23(32)16-29-11-13-30(14-12-29)22-7-3-4-10-28-22/h1-10,15H,11-14,16H2
InChIKey JLGKOPXKDAPDID-UHFFFAOYSA-N
Molecular Weight 470.514 g/mol
SMILES C1=CN=C(N2CCN(CC(N3C4=C(SC5=C3C=CC=C5)C=CC(C(F)(F)F)=C4)=O)CC2)C=C1