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4-(2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID KFkiWsSOH6R
InChI InChI=1S/C22H20O3/c1-17(23)25-22(2,3)16-15-20-8-6-5-7-19(20)12-9-18-10-13-21(24-4)14-11-18/h5-8,10-11,13-14H,1-4H3
InChIKey TWRUWIFVKIKVOF-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 6FgVbZblPq7
Name 4-(2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Colorless solid
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Exact Mass 332.141244501 u
Formula C22H20O3
InChI InChI=1S/C22H20O3/c1-17(23)25-22(2,3)16-15-20-8-6-5-7-19(20)12-9-18-10-13-21(24-4)14-11-18/h5-8,10-11,13-14H,1-4H3
InChIKey TWRUWIFVKIKVOF-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=C1)C#CC1=CC=C(C=C1)OC)C#CC(OC(C)=O)(C)C
SPLASH splash10-00fr-0090000000-90ac34d261fb961f9df4
Source of Spectrum QE-21-SM43-1c (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.43 (PE/EA, 5:1)
Wiley ID 1907061