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Benzonitrile, 4-(1-octynyl)-

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Benzonitrile, 4-(1-octynyl)-
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 BcmZJBVmryr
Name 4-(1-Octynyl)benzonitrile
CAS Registry Number 312708-98-8
Copyright Copyright © 2020-2025 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
Literature Reference DOI 10.1039/c5ra00505a
Molecular Weight 211.308 g/mol
SMILES c1(ccc(cc1)C#CCCCCCC)C#N
SPLASH splash10-014l-0900000000-65207a4693e8ccc5c0b8
Source of Spectrum RSA-5-18968-3k
Synonyms 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)-
Wiley ID 1760251