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N-{1-[2-(Indol-3-yl)ethyl]-5-piperidyl}-alpha,alpha,alpha-trifluoro-m-toluamide
SpectraBase Compound ID Jvl7lCucTzw
InChI InChI=1S/C23H24F3N3O/c24-23(25,26)18-5-3-4-16(14-18)22(30)28-19-9-12-29(13-10-19)11-8-17-15-27-21-7-2-1-6-20(17)21/h1-7,14-15,19,27H,8-13H2,(H,28,30)
InChIKey OGJKJGNPFLEMLC-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C23H24F3N3O
Exact Mass 415.187147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFQbt9cn534
Name N-{1-[2-(Indol-3-yl)ethyl]-5-piperidyl}-alpha,alpha,alpha-trifluoro-m-toluamide
Comments Computed using HOSE algorithm
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Exact Mass 415.187146893 u
Formula C23H24F3N3O
InChI InChI=1S/C23H24F3N3O/c24-23(25,26)18-5-3-4-16(14-18)22(30)28-19-9-12-29(13-10-19)11-8-17-15-27-21-7-2-1-6-20(17)21/h1-7,14-15,19,27H,8-13H2,(H,28,30)
InChIKey OGJKJGNPFLEMLC-UHFFFAOYSA-N
Molecular Weight 415.460 g/mol
SMILES N(C(=O)C1=CC(=CC=C1)C(F)(F)F)C1CCN(CC1)CCC1=CNC2=C1C=CC=C2