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4-(4-fluoro-2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID Eqh1OrSIAn
InChI InChI=1S/C22H19FO3/c1-16(24)26-22(2,3)14-13-18-9-10-20(23)15-19(18)8-5-17-6-11-21(25-4)12-7-17/h6-7,9-12,15H,1-4H3
InChIKey LHXILTKPTCDUFS-UHFFFAOYSA-N
Mol Weight 350.39 g/mol
Molecular Formula C22H19FO3
Exact Mass 350.131823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsL8lmmT1G4
Name 4-(4-fluoro-2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Yellow oil
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Exact Mass 350.131822632 u
Formula C22H19FO3
InChI InChI=1S/C22H19FO3/c1-16(24)26-22(2,3)14-13-18-9-10-20(23)15-19(18)8-5-17-6-11-21(25-4)12-7-17/h6-7,9-12,15H,1-4H3
InChIKey LHXILTKPTCDUFS-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 350.389 g/mol
Reported Formula C22H19O3F
SMILES C1=C(C(=CC(=C1)F)C#CC1=CC=C(C=C1)OC)C#CC(OC(C)=O)(C)C
SPLASH splash10-0006-0090000000-62387bb34f481c0916a7
Source of Spectrum QE-21-SM53-1t (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.42 (PE/EA, 5:1)
Wiley ID 1907075