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N-3-Fluorobenzyl-N,N-bis(3-iodobenzyl)amine
SpectraBase Compound ID BtQFThFNDOt
InChI InChI=1S/C21H18FI2N/c22-19-7-1-4-16(10-19)13-25(14-17-5-2-8-20(23)11-17)15-18-6-3-9-21(24)12-18/h1-12H,13-15H2
InChIKey NKMYCYYWFCASHQ-UHFFFAOYSA-N
Mol Weight 557.19 g/mol
Molecular Formula C21H18FI2N
Exact Mass 556.951268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lMO0iIpCJk
Name N-3-Fluorobenzyl-N,N-bis(3-iodobenzyl)amine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 556.951267747 u
Formula C21H18FI2N
InChI InChI=1S/C21H18FI2N/c22-19-7-1-4-16(10-19)13-25(14-17-5-2-8-20(23)11-17)15-18-6-3-9-21(24)12-18/h1-12H,13-15H2
InChIKey NKMYCYYWFCASHQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 557.189 g/mol
Nominal Mass 557 u
Quality 987
Retention Index 3037
SMILES C(N(CC=1C=C(C=CC1)I)CC1=CC(=CC=C1)I)C=1C=C(C=CC1)F
SPLASH splash10-00kf-6559110000-aa7753227aff71793cdb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3-fluorophenyl)-N,N-bis(3-iodobenzyl)methanamine
Technique GC/MS
Wiley ID DD2024_020457