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1-(3-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-

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

1-(3-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID ANE7EKygZaN
InChI InChI=1S/C17H19F7N2O2/c1-28-13-4-2-3-11(9-13)10-26-7-5-12(6-8-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-4,9,12H,5-8,10H2,1H3,(H,25,27)
InChIKey FWAJGBAXXYBEMD-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C17H19F7N2O2
Exact Mass 416.133475 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GGgGZIeoBpz
Name 1-(3-Methoxybenzyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.133474999 u
Formula C17H19F7N2O2
InChI InChI=1S/C17H19F7N2O2/c1-28-13-4-2-3-11(9-13)10-26-7-5-12(6-8-26)25-14(27)15(18,19)16(20,21)17(22,23)24/h2-4,9,12H,5-8,10H2,1H3,(H,25,27)
InChIKey FWAJGBAXXYBEMD-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(=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822081