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1-(4-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(4-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID CnWE9sKpcxV
InChI InChI=1S/C17H19F7N2O2/c1-28-13-4-2-11(3-5-13)10-26-8-6-12(7-9-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-5,12H,6-10H2,1H3,(H,25,27)
InChIKey YDJKAJRLHUZTCT-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C17H19F7N2O2
Exact Mass 416.133475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMfsXGREzQG
Name 1-(4-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 416.133474999 u
Formula C17H19F7N2O2
InChI InChI=1S/C17H19F7N2O2/c1-28-13-4-2-11(3-5-13)10-26-8-6-12(7-9-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-5,12H,6-10H2,1H3,(H,25,27)
InChIKey YDJKAJRLHUZTCT-UHFFFAOYSA-N
Molecular Weight 416.340 g/mol
SMILES C1N(CCC(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC1=CC=C(C=C1)OC