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N,N-Bis(3-iodobenzyl)aniline
SpectraBase Compound ID 40I3URTQtnS
InChI InChI=1S/C20H17I2N/c21-18-8-4-6-16(12-18)14-23(20-10-2-1-3-11-20)15-17-7-5-9-19(22)13-17/h1-13H,14-15H2
InChIKey REXZRXDBKNKLBC-UHFFFAOYSA-N
Mol Weight 525.17 g/mol
Molecular Formula C20H17I2N
Exact Mass 524.94504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Oda7vQueG
Name N,N-Bis(3-iodobenzyl)aniline
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 524.945039551 u
Formula C20H17I2N
InChI InChI=1S/C20H17I2N/c21-18-8-4-6-16(12-18)14-23(20-10-2-1-3-11-20)15-17-7-5-9-19(22)13-17/h1-13H,14-15H2
InChIKey REXZRXDBKNKLBC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 525.172 g/mol
Nominal Mass 525 u
Quality 997
Retention Index 3135
SMILES C1(N(CC=2C=C(C=CC2)I)CC=2C=C(C=CC2)I)=CC=CC=C1
SPLASH splash10-056r-8449060000-3036159a079efa46c497
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-Iodobenzyl)aniline
Technique GC/MS
Wiley ID DD2024_026488