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4-(1-Octynyl)benzonitrile

View entire compound with spectra: 3 MS (GC)

4-(1-Octynyl)benzonitrile
SpectraBase Compound ID IJroiUfbNPD
InChI InChI=1S/C15H17N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-6H2,1H3
InChIKey NZAFXMNWVHJORA-UHFFFAOYSA-N
Mol Weight 211.31 g/mol
Molecular Formula C15H17N
Exact Mass 211.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5f7eudAWFm
Name 4-(1-Octynyl)benzonitrile
Alternate Name(s) 4-(1-Oct-1-ynyl)benzonitrile 4-Oct-1-ynylbenzenecarbonitrile 4-(Oct-1-yn-1-yl)benzonitrile 4-Oct-1-ynylbenzonitrile Benzonitrile, 4-(1-octynyl)-
CAS Registry Number 312708-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N
InChI InChI=1S/C15H17N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-6H2,1H3
InChIKey NZAFXMNWVHJORA-UHFFFAOYSA-N
Molecular Weight 211.308 g/mol
SMILES C(#N)c1ccc(C#CCCCCCC)cc1
SPLASH splash10-014i-1900000000-b14f943dac6ff3b7d8b0
Source of Spectrum F-68-4880-3ce
Wiley ID 1709052