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N-(Pentan-3-yl)-4-fluorophenethylamine

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

N-(Pentan-3-yl)-4-fluorophenethylamine
SpectraBase Compound ID 7CyzesfGypP
InChI InChI=1S/C13H20FN/c1-3-13(4-2)15-10-9-11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKey WPSQESKSNFTPSF-UHFFFAOYSA-N
Mol Weight 209.31 g/mol
Molecular Formula C13H20FN
Exact Mass 209.157978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID VqF8jC3ZwO
Name N-(Pentan-3-yl)-4-fluorophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.157977811 u
Formula C13H20FN
InChI InChI=1S/C13H20FN/c1-3-13(4-2)15-10-9-11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKey WPSQESKSNFTPSF-UHFFFAOYSA-N
Molecular Weight 209.308 g/mol
SMILES C1(CCNC(CC)CC)=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960157