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N-(3-Iodobenzyl)hexamethyleneamine
SpectraBase Compound ID GcXMgFqu3wy
InChI InChI=1S/C13H18IN/c14-13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2
InChIKey HEQFZDZVQPZFBQ-UHFFFAOYSA-N
Mol Weight 315.2 g/mol
Molecular Formula C13H18IN
Exact Mass 315.048395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oWDhVWrX3A
Name N-(3-Iodobenzyl)hexamethyleneamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 315.048394584 u
Formula C13H18IN
InChI InChI=1S/C13H18IN/c14-13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2
InChIKey HEQFZDZVQPZFBQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 315.198 g/mol
Nominal Mass 315 u
Quality 986
Retention Index 1911
SMILES C=1(CN2CCCCCC2)C=C(C=CC1)I
SPLASH splash10-02t9-9456000000-7cdc608238384d1c640d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Iodobenzyl)azepane 1-(3-iodobenzyl)azepane
Technique GC/MS
Wiley ID DD2024_013473