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4-[3-(4-methoxyphenyl)prop-1-enyl]benzonitrile
SpectraBase Compound ID 5ms0EwvbDLQ
InChI InChI=1S/C17H15NO/c1-19-17-11-9-15(10-12-17)4-2-3-14-5-7-16(13-18)8-6-14/h2-3,5-12H,4H2,1H3
InChIKey MDYVCUNETMZHFK-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqrelYmHP3M
Name 4-[3-(4-methoxyphenyl)prop-1-enyl]benzonitrile
Appearance Pale-yellow oil
Carrier Gas Hydrogen (1.2 bar) (30 ml/min)
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Formula C17H15NO
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C17H15NO/c1-19-17-11-9-15(10-12-17)4-2-3-14-5-7-16(13-18)8-6-14/h2-3,5-12H,4H2,1H3
InChIKey MDYVCUNETMZHFK-UHFFFAOYSA-N
Instrument Name Agilent HP 6980 GC-5937N MSD
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300050
Molecular Weight 249.313 g/mol
Quality 127
Reported Formula C17H15NO
SMILES C1(=CC=C(C=C1)OC)CC=CC1=CC=C(C=C1)C#N
SPLASH splash10-0002-0290000000-a0073a972093264634e0
Source of Spectrum K1-26-SM28-7f (DOI: 10.1002/ejoc.202300050)
Thin-Layer Chromatography 0.36 (cHex/EtOAc, 9:1))
Wiley ID 1910447