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N,N-di-(but-2-yl)-4-Fluorophenethylamine

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

N,N-di-(but-2-yl)-4-Fluorophenethylamine
SpectraBase Compound ID EvYZ9tKUqs7
InChI InChI=1S/C16H26FN/c1-5-13(3)18(14(4)6-2)12-11-15-7-9-16(17)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKey YKDUJCVNBMVLGQ-UHFFFAOYSA-N
Mol Weight 251.39 g/mol
Molecular Formula C16H26FN
Exact Mass 251.204928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F718zzZVhaY
Name N,N-di-(but-2-yl)-4-Fluorophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.204928004 u
Formula C16H26FN
InChI InChI=1S/C16H26FN/c1-5-13(3)18(14(4)6-2)12-11-15-7-9-16(17)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKey YKDUJCVNBMVLGQ-UHFFFAOYSA-N
Molecular Weight 251.389 g/mol
SMILES C(N(C(CC)C)CCC=1C=CC(=CC1)F)(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85409