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4-(Azepan-1-ylmethyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(Azepan-1-ylmethyl)benzonitrile
SpectraBase Compound ID GfQ5UkAUUg9
InChI InChI=1S/C14H18N2/c15-11-13-5-7-14(8-6-13)12-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,12H2
InChIKey BRDXQCQJDWRZDL-UHFFFAOYSA-N
Mol Weight 214.31 g/mol
Molecular Formula C14H18N2
Exact Mass 214.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1GM59ZWNge
Name 4-(Azepan-1-ylmethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2
InChI InChI=1S/C14H18N2/c15-11-13-5-7-14(8-6-13)12-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,12H2
InChIKey BRDXQCQJDWRZDL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.201900519
Molecular Weight 214.312 g/mol
SMILES c1cc(ccc1C#N)CN1CCCCCC1
SPLASH splash10-014r-2920000000-232b072e0d91375d18fa
Source of Spectrum CSC-12-SM13-7d
Wiley ID 1819582