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1-[4'-Cyanophenyl]cyclohex-2-ene
SpectraBase Compound ID 8qCe6NqndM0
InChI InChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h2,4,6-9,12H,1,3,5H2
InChIKey AWIGAUFAFMAUKH-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 74XDWY1oR7U
Name 3-(4-Cyanophenyl)cyclohexene
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N
InChI InChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h2,4,6-9,12H,1,3,5H2
InChIKey AWIGAUFAFMAUKH-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.orglett.1c00812
Molecular Weight 183.254 g/mol
Reported Formula C13H13N
SMILES c1cc(C2CCCC=C2)ccc1C#N
SPLASH splash10-0kur-0900000000-dd724bbf856aa224b1b1
Source of Spectrum A1-23-SM109-3l
Wiley ID 1868206