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1-(2-Phenylethyl)-4-piperidinamine,N-heptafluorobutyryl

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(2-Phenylethyl)-4-piperidinamine,N-heptafluorobutyryl
SpectraBase Compound ID 8Jjimqf7XcV
InChI InChI=1S/C17H19F7N2O/c18-15(19,16(20,21)17(22,23)24)14(27)25-13-7-10-26(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,25,27)
InChIKey XDKMENSKORPLFQ-UHFFFAOYSA-N
Mol Weight 400.34 g/mol
Molecular Formula C17H19F7N2O
Exact Mass 400.13856 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2I9NOeCECyj
Name 1-(2-Phenylethyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.138560380 u
Formula C17H19F7N2O
InChI InChI=1S/C17H19F7N2O/c18-15(19,16(20,21)17(22,23)24)14(27)25-13-7-10-26(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,25,27)
InChIKey XDKMENSKORPLFQ-UHFFFAOYSA-N
Molecular Weight 400.341 g/mol
SMILES C1N(CCC(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879649