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N-Butyl-5-chloro-2-fluorophenethylamine

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

N-Butyl-5-chloro-2-fluorophenethylamine
SpectraBase Compound ID JjrM9GRu1Ba
InChI InChI=1S/C12H17ClFN/c1-2-3-7-15-8-6-10-9-11(13)4-5-12(10)14/h4-5,9,15H,2-3,6-8H2,1H3
InChIKey KWZNDOPCPMIXJT-UHFFFAOYSA-N
Mol Weight 229.73 g/mol
Molecular Formula C12H17ClFN
Exact Mass 229.103355 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7bmwnsCEcPP
Name N-Butyl-5-chloro-2-fluorophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.103355414 u
Formula C12H17ClFN
InChI InChI=1S/C12H17ClFN/c1-2-3-7-15-8-6-10-9-11(13)4-5-12(10)14/h4-5,9,15H,2-3,6-8H2,1H3
InChIKey KWZNDOPCPMIXJT-UHFFFAOYSA-N
Molecular Weight 229.726 g/mol
SMILES C=1(C(=CC=C(C1)Cl)F)CCNCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961752