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N-(3-Iodobenzyl)-4-fluorobenzeneethanamine

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

N-(3-Iodobenzyl)-4-fluorobenzeneethanamine
SpectraBase Compound ID 56EVozUviLG
InChI InChI=1S/C15H15FIN/c16-14-6-4-12(5-7-14)8-9-18-11-13-2-1-3-15(17)10-13/h1-7,10,18H,8-9,11H2
InChIKey GUXPYEFAOJRYGI-UHFFFAOYSA-N
Mol Weight 355.19 g/mol
Molecular Formula C15H15FIN
Exact Mass 355.023323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HMjaiRp6l5E
Name N-(3-Iodobenzyl)-4-fluorobenzeneethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.023322650 u
Formula C15H15FIN
InChI InChI=1S/C15H15FIN/c16-14-6-4-12(5-7-14)8-9-18-11-13-2-1-3-15(17)10-13/h1-7,10,18H,8-9,11H2
InChIKey GUXPYEFAOJRYGI-UHFFFAOYSA-N
Molecular Weight 355.195 g/mol
SMILES C=1(CNCCC2=CC=C(C=C2)F)C=C(C=CC1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900852