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N,N-Bis(3-iodobenzyl)-N-(2-methylbenzyl)amine
SpectraBase Compound ID DVXVjJUjWKW
InChI InChI=1S/C22H21I2N/c1-17-6-2-3-9-20(17)16-25(14-18-7-4-10-21(23)12-18)15-19-8-5-11-22(24)13-19/h2-13H,14-16H2,1H3
InChIKey WRAULKRTNKZRPL-UHFFFAOYSA-N
Mol Weight 553.23 g/mol
Molecular Formula C22H21I2N
Exact Mass 552.97634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1a81Ez4L9iL
Name N,N-Bis(3-iodobenzyl)-N-(2-methylbenzyl)amine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 552.976339680 u
Formula C22H21I2N
InChI InChI=1S/C22H21I2N/c1-17-6-2-3-9-20(17)16-25(14-18-7-4-10-21(23)12-18)15-19-8-5-11-22(24)13-19/h2-13H,14-16H2,1H3
InChIKey WRAULKRTNKZRPL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 553.226 g/mol
Nominal Mass 553 u
Quality 954
Retention Index 3124
SMILES C(N(CC=1C=C(C=CC1)I)CC1=CC(=CC=C1)I)C=1C(=CC=CC1)C
SPLASH splash10-0a4r-5935110000-6c080c14c9cb4cd17993
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-iodobenzyl)(3-iodophenyl)-N-(2-methylbenzyl)methanamine
Technique GC/MS
Wiley ID DD2024_020461