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1-(But-2-en-2-yl)-2-(phenylethynyl)benzene
SpectraBase Compound ID 8OrMXKVr0Kr
InChI InChI=1S/C18H16/c1-3-15(2)18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h3-12H,1-2H3
InChIKey CEGXCQQEVKTCHE-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzD48Dn1S5t
Name 1-(But-2-en-2-yl)-2-(phenylethynyl)benzene
Appearance Colorless oil
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Exact Mass 232.125200515 u
Formula C18H16
GC Column HP-5MS
InChI InChI=1S/C18H16/c1-3-15(2)18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h3-12H,1-2H3
InChIKey CEGXCQQEVKTCHE-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 232.326 g/mol
SMILES C1=CC(=C(C=C1)C#CC1=CC=CC=C1)C(C)=CC
SPLASH splash10-0gc0-0090000000-a1890faf37929b079281
Sample Comments Major isomer, dr = ~1.5:1
Source of Spectrum QE-21-SM4-2b (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.23 (hexane)
Wiley ID 1907693