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Hexamethyleneimine
SpectraBase Compound ID 5Zceg8XzL6u
InChI InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChIKey ZSIQJIWKELUFRJ-UHFFFAOYSA-N
Mol Weight 99.18 g/mol
Molecular Formula C6H13N
Exact Mass 99.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoM0GFqAjTs
Name Hexamethylenimine
CAS Registry Number 111-49-9
Classification Production of polymers
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 99.104799423 u
Formula C6H13N
InChI InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChIKey ZSIQJIWKELUFRJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 99.177 g/mol
Nominal Mass 99 u
Quality 984
Retention Index 823
SMILES C1NCCCCC1
SPLASH splash10-0597-9000000000-e78c631f7092f38aa8b1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexahydro-1H-azepine Azepane
Technique GC/MS
Wiley ID DD2024_011616