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N,N-Bis(3-iodobenzyl)-2,5-dimethylbenzeneethanamine
SpectraBase Compound ID Ewj8S8jGHsV
InChI InChI=1S/C24H25I2N/c1-18-9-10-19(2)22(13-18)11-12-27(16-20-5-3-7-23(25)14-20)17-21-6-4-8-24(26)15-21/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKey DZNVVFXGTISVPF-UHFFFAOYSA-N
Mol Weight 581.28 g/mol
Molecular Formula C24H25I2N
Exact Mass 581.00764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dooait9zjxw
Name N,N-Bis(3-iodobenzyl)-2,5-dimethylbenzeneethanamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 581.007639809 u
Formula C24H25I2N
InChI InChI=1S/C24H25I2N/c1-18-9-10-19(2)22(13-18)11-12-27(16-20-5-3-7-23(25)14-20)17-21-6-4-8-24(26)15-21/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKey DZNVVFXGTISVPF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 581.280 g/mol
Nominal Mass 581 u
Quality 999
Retention Index 3748
SMILES C=1(C(=CC=C(C1)C)C)CCN(CC=1C=C(C=CC1)I)CC=1C=C(C=CC1)I
SPLASH splash10-03di-2120900000-a13d1e454ec27a01e688
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-iodobenzyl)-2,5-dimethylphenethylamine 2-(2,5-dimethylphenyl)-N,N-bis(3-iodobenzyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_021789