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4-Fluoro-N-[2-(4-fluorophenyl)ethyl]-N-(3-iodobenzyl)aniline
SpectraBase Compound ID AQl5uKsAjkb
InChI InChI=1S/C21H18F2IN/c22-18-6-4-16(5-7-18)12-13-25(21-10-8-19(23)9-11-21)15-17-2-1-3-20(24)14-17/h1-11,14H,12-13,15H2
InChIKey CWBISNHNVLADJN-UHFFFAOYSA-N
Mol Weight 449.28 g/mol
Molecular Formula C21H18F2IN
Exact Mass 449.045201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEbnIXDGuvY
Name 4-Fluoro-N-[2-(4-fluorophenyl)ethyl]-N-(3-iodobenzyl)aniline
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 449.045200910 u
Formula C21H18F2IN
InChI InChI=1S/C21H18F2IN/c22-18-6-4-16(5-7-18)12-13-25(21-10-8-19(23)9-11-21)15-17-2-1-3-20(24)14-17/h1-11,14H,12-13,15H2
InChIKey CWBISNHNVLADJN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 449.283 g/mol
Nominal Mass 449 u
Quality 994
Retention Index 2782
SMILES C=1(N(CC2=CC(=CC=C2)I)CCC=2C=CC(=CC2)F)C=CC(=CC1)F
SPLASH splash10-00kf-5198000000-4e7ce7bc11fa84a648de
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_030640