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N,N-Dibutyl-4-fluorophenethylamine

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

N,N-Dibutyl-4-fluorophenethylamine
SpectraBase Compound ID 8T2wmaLAF3a
InChI InChI=1S/C16H26FN/c1-3-5-12-18(13-6-4-2)14-11-15-7-9-16(17)10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKey OLGZTDWVCVMPJH-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 KBcMRFFAO9R
Name N,N-Dibutyl-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/c1-3-5-12-18(13-6-4-2)14-11-15-7-9-16(17)10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKey OLGZTDWVCVMPJH-UHFFFAOYSA-N
Molecular Weight 251.389 g/mol
SMILES C=1(CCN(CCCC)CCCC)C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91459