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N,N-Bis(3-iodobenzyl)-2-methylaniline
SpectraBase Compound ID LkW7ymvTPEM
InChI InChI=1S/C21H19I2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3
InChIKey INPGKGKAHCSKKN-UHFFFAOYSA-N
Mol Weight 539.2 g/mol
Molecular Formula C21H19I2N
Exact Mass 538.96069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXNqRVtNbii
Name N,N-Bis(3-iodobenzyl)-2-methylaniline
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 538.960689616 u
Formula C21H19I2N
InChI InChI=1S/C21H19I2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3
InChIKey INPGKGKAHCSKKN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 539.199 g/mol
Nominal Mass 539 u
Quality 1000
Retention Index 3448
SMILES C1(N(CC2=CC(=CC=C2)I)CC=2C=C(C=CC2)I)=C(C=CC=C1)C
SPLASH splash10-00rl-8639030000-40cf39e15e7c79f32a3d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-Iodobenzyl)-2-methylaniline
Technique GC/MS
Wiley ID DD2024_028243