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4-(4-(4-Methylpiperazin-1-yl)piperidin-1-yl)aniline, N-trifluoroacetyl-
SpectraBase Compound ID 2pCBC9tY6il
InChI InChI=1S/C18H25F3N4O/c1-23-10-12-25(13-11-23)16-6-8-24(9-7-16)15-4-2-14(3-5-15)22-17(26)18(19,20)21/h2-5,16H,6-13H2,1H3,(H,22,26)
InChIKey LJHBKRVUKKMVJZ-UHFFFAOYSA-N
Mol Weight 370.42 g/mol
Molecular Formula C18H25F3N4O
Exact Mass 370.198046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIvtgR74DAF
Name 4-(4-(4-Methylpiperazin-1-yl)piperidin-1-yl)aniline, N-trifluoroacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 370.198045929 u
Formula C18H25F3N4O
InChI InChI=1S/C18H25F3N4O/c1-23-10-12-25(13-11-23)16-6-8-24(9-7-16)15-4-2-14(3-5-15)22-17(26)18(19,20)21/h2-5,16H,6-13H2,1H3,(H,22,26)
InChIKey LJHBKRVUKKMVJZ-UHFFFAOYSA-N
Molecular Weight 370.420 g/mol
SMILES C1N(CCN(C1)C)C1CCN(CC1)C1=CC=C(C=C1)NC(C(F)(F)F)=O