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2-Hex-1-ynylbenzenecarbonitrile
SpectraBase Compound ID 4hJ7Ybd82ja
InChI InChI=1S/C13H13N/c1-2-3-4-5-8-12-9-6-7-10-13(12)11-14/h6-7,9-10H,2-4H2,1H3
InChIKey FVLBJXKHCWDGFO-UHFFFAOYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C13H13N
Exact Mass 183.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BIvHQIWOeW
Name 2-hex-1-ynylbenzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N
InChI InChI=1S/C13H13N/c1-2-3-4-5-8-12-9-6-7-10-13(12)11-14/h6-7,9-10H,2-4H2,1H3
InChIKey FVLBJXKHCWDGFO-UHFFFAOYSA-N
Molecular Weight 183.254 g/mol
SMILES C(#CCCCC)c1c(C#N)cccc1
SPLASH splash10-00lr-0900000000-d19bf734191e059c2d9a
Source of Spectrum F-55-13197-3
Synonyms 2-hex-1-ynylbenzonitrile
Wiley ID 839683