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1-(2-(mesitylethynyl)phenyl)but-2-yn-1-one
SpectraBase Compound ID zad4QOzYOP
InChI InChI=1S/C21H18O/c1-5-8-21(22)20-10-7-6-9-18(20)11-12-19-16(3)13-15(2)14-17(19)4/h6-7,9-10,13-14H,1-4H3
InChIKey FRNVIOQOMGYUHI-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C21H18O
Exact Mass 286.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6DOd1hMoqL
Name 1-(2-(mesitylethynyl)phenyl)but-2-yn-1-one
Appearance Slightly yellow solid
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Exact Mass 286.135765199 u
Formula C21H18O
InChI InChI=1S/C21H18O/c1-5-8-21(22)20-10-7-6-9-18(20)11-12-19-16(3)13-15(2)14-17(19)4/h6-7,9-10,13-14H,1-4H3
InChIKey FRNVIOQOMGYUHI-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 286.374 g/mol
Reported Formula C21H18O
SMILES C1(=C(C(=CC(=C1)C)C)C#CC1=C(C=CC=C1)C(C#CC)=O)C
SPLASH splash10-00dr-0090000000-72cd7ed80b17307f56c1
Source of Spectrum QE-21-SM81-VIIx (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.42 (PE/EA, 10:1)
Wiley ID 1907169