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1-(3-Pyridinylmethyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID GpYuqPfoH99
InChI InChI=1S/C15H16F7N3O/c16-13(17,14(18,19)15(20,21)22)12(26)24-11-3-6-25(7-4-11)9-10-2-1-5-23-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,24,26)
InChIKey PEPLIJTYGQPAAI-UHFFFAOYSA-N
Mol Weight 387.3 g/mol
Molecular Formula C15H16F7N3O
Exact Mass 387.118159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PNuuiDKOlE
Name 1-(3-Pyridinylmethyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 387.118159287 u
Formula C15H16F7N3O
InChI InChI=1S/C15H16F7N3O/c16-13(17,14(18,19)15(20,21)22)12(26)24-11-3-6-25(7-4-11)9-10-2-1-5-23-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,24,26)
InChIKey PEPLIJTYGQPAAI-UHFFFAOYSA-N
Molecular Weight 387.302 g/mol
SMILES C1N(CCC(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC1=CN=CC=C1