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4-(5-methoxy-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID Fxivhj7Nwqa
InChI InChI=1S/C22H20O3/c1-17(23)25-22(2,3)15-14-20-16-21(24-4)13-12-19(20)11-10-18-8-6-5-7-9-18/h5-9,12-13,16H,1-4H3
InChIKey ODGCHKWZSXOIMX-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C22H20O3
Exact Mass 332.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4faWOXaQW2U
Name 4-(5-methoxy-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Yellow oil
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Exact Mass 332.141244501 u
Formula C22H20O3
InChI InChI=1S/C22H20O3/c1-17(23)25-22(2,3)15-14-20-16-21(24-4)13-12-19(20)11-10-18-8-6-5-7-9-18/h5-9,12-13,16H,1-4H3
InChIKey ODGCHKWZSXOIMX-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 332.399 g/mol
Reported Formula C22H20O3
SMILES C1=C(C(=CC=C1OC)C#CC1=CC=CC=C1)C#CC(OC(C)=O)(C)C
SPLASH splash10-00fr-0090000000-bd4adc3da8e1528fe467
Source of Spectrum QE-21-SM49-1n (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.47 (PE/EA, 5:1)
Wiley ID 1907070