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

View entire compound with spectra: 1 FTIR

1-(3-Fluorobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID 7uJ4OyubiZx
InChI InChI=1S/C16H16F8N2O/c17-11-3-1-2-10(8-11)9-26-6-4-12(5-7-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-3,8,12H,4-7,9H2,(H,25,27)
InChIKey NUUHCRCEEFIKHK-UHFFFAOYSA-N
Mol Weight 404.3 g/mol
Molecular Formula C16H16F8N2O
Exact Mass 404.113488 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HI7Bhw7iu9j
Name 1-(3-Fluorobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.113488446 u
Formula C16H16F8N2O
InChI InChI=1S/C16H16F8N2O/c17-11-3-1-2-10(8-11)9-26-6-4-12(5-7-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-3,8,12H,4-7,9H2,(H,25,27)
InChIKey NUUHCRCEEFIKHK-UHFFFAOYSA-N
Molecular Weight 404.304 g/mol
SMILES C1(F)=CC(=CC=C1)CN1CCC(CC1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862972