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2-(oct-1-yn-1-yl)isonicotinonitrile
SpectraBase Compound ID EiJcyj0B6KO
InChI InChI=1S/C14H16N2/c1-2-3-4-5-6-7-8-14-11-13(12-15)9-10-16-14/h9-11H,2-6H2,1H3
InChIKey HNSVXBPHMUDKFX-UHFFFAOYSA-N
Mol Weight 212.3 g/mol
Molecular Formula C14H16N2
Exact Mass 212.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfHY2N8cOEl
Name 2-(oct-1-yn-1-yl)isonicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2
InChI InChI=1S/C14H16N2/c1-2-3-4-5-6-7-8-14-11-13(12-15)9-10-16-14/h9-11H,2-6H2,1H3
InChIKey HNSVXBPHMUDKFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201400750
Molecular Weight 212.296 g/mol
SMILES c1c(cc(C#CCCCCCC)nc1)C#N
SPLASH splash10-090u-0910000000-9bb678698158ef4f119a
Source of Spectrum ACI-53-SMS18-7n
Wiley ID 1782383