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N-(2-Chlorobenzyl)azepane
SpectraBase Compound ID BnQJPXHX1gx
InChI InChI=1S/C13H18ClN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey GIJULRCQOLCUPU-UHFFFAOYSA-N
Mol Weight 223.75 g/mol
Molecular Formula C13H18ClN
Exact Mass 223.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUjtPAepYKu
Name N-(2-Chlorobenzyl)azepane
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 223.112777284 u
Formula C13H18ClN
InChI InChI=1S/C13H18ClN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey GIJULRCQOLCUPU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 223.747 g/mol
Nominal Mass 223 u
Quality 876
Retention Index 1708
SMILES C=1(C(=CC=CC1)Cl)CN1CCCCCC1
SPLASH splash10-00bc-4930000000-279c39fa1cd9d3f805a9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2-chlorobenzyl)azepane
Technique GC/MS
Wiley ID DD2024_013289