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N-(1-(2-fluorophenyl)but-3-enyl)aniline

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

N-(1-(2-fluorophenyl)but-3-enyl)aniline
SpectraBase Compound ID 9AhNoaipQnI
InChI InChI=1S/C16H16FN/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h2-7,9-12,16,18H,1,8H2
InChIKey DTVODQWHFCLXRT-UHFFFAOYSA-N
Mol Weight 241.31 g/mol
Molecular Formula C16H16FN
Exact Mass 241.126678 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Edl8s30g3hJ
Name N-(1-(2-Fluorophenyl)but-3-enyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.126677682 u
Formula C16H16FN
InChI InChI=1S/C16H16FN/c1-2-8-16(14-11-6-7-12-15(14)17)18-13-9-4-3-5-10-13/h2-7,9-12,16,18H,1,8H2
InChIKey DTVODQWHFCLXRT-UHFFFAOYSA-N
Molecular Weight 241.309 g/mol
SMILES C=1C=C(C(=CC1)F)C(NC1=CC=CC=C1)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936199