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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 362C3hkr04a
Name 1',2',3',4'-tetrahydro-[1,1'-biphenyl]-4-carbonitrile
Appearance Colorless oil
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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 Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 183.254 g/mol
Reported Formula C13H13N
SMILES c1(ccc(cc1)C#N)C1CCCC=C1
SPLASH splash10-0gdl-0900000000-856a02e0d1917e2e0da7
Source of Spectrum ACI-58-SM23-6l
Wiley ID 1875528