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alpha-Phenylcinnamonitrile
SpectraBase Compound ID KxviqQDL9Il
InChI InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11+
InChIKey VFOKYTYWXOYPOX-RVDMUPIBSA-N
Mol Weight 205.26 g/mol
Molecular Formula C15H11N
Exact Mass 205.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJMFEP7pFYy
Name (Z)-2,3-diphenylacrylonitrile
Appearance Slight yellow solid
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Exact Mass 205.089149358 u
Formula C15H11N
InChI InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11+
InChIKey VFOKYTYWXOYPOX-RVDMUPIBSA-N
Instrument Name Finnigan MAT 4200S or Bruker Daltonics Micro Tof
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807303
Molecular Weight 205.260 g/mol
Quality 33
SMILES C1(=CC=CC=C1)\C=C/(C#N)C1=CC=CC=C1
SPLASH splash10-0a4i-2790000000-1d6d0538dc0ac25b7f61
Sample Comments Z/E = 4.3:1
Source of Spectrum ACI-57-SM80-4u (DOI: 10.1002/anie.201807303)
Thin-Layer Chromatography 0.35 (pentane/EtOAc, 20:1);
Wiley ID 1896791