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4-cinnamylbenzonitrile
SpectraBase Compound ID ICI9TdeAIog
InChI InChI=1S/C16H13N/c17-13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h1-7,9-12H,8H2
InChIKey YSTSVRQZWSLDQL-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C16H13N
Exact Mass 219.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtPMBMsseO2
Name 4-cinnamylbenzonitrile
Appearance Pale-yellow solid
Carrier Gas Hydrogen (1.2 bar) (30 ml/min)
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Exact Mass 219.104799423 u
Formula C16H13N
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C16H13N/c17-13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h1-7,9-12H,8H2
InChIKey YSTSVRQZWSLDQL-UHFFFAOYSA-N
Instrument Name Agilent HP 6980 GC-5937N MSD
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300050
Molecular Weight 219.287 g/mol
Quality 194
SMILES C1(=CC=C(C=C1)C#N)CC=CC1=CC=CC=C1
SPLASH splash10-014l-4490000000-ef672de7671483d70cbd
Source of Spectrum K1-26-SM20-7b (DOI: 10.1002/ejoc.202300050)
Thin-Layer Chromatography 0.25 (cHex/EtOAc, 15:1)
Wiley ID 1910444