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4-(2-fluoro-6-((4-methoxy-2-methylphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID 5kjBpAhgKgu
InChI InChI=1S/C23H21FO3/c1-16-15-20(26-5)12-11-18(16)9-10-19-7-6-8-22(24)21(19)13-14-23(3,4)27-17(2)25/h6-8,11-12,15H,1-5H3
InChIKey QMOZCNFYCAJRSH-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C23H21FO3
Exact Mass 364.147473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFkwo1U2Ep2
Name 4-(2-fluoro-6-((4-methoxy-2-methylphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Colorless solid
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Exact Mass 364.147472696 u
Formula C23H21FO3
InChI InChI=1S/C23H21FO3/c1-16-15-20(26-5)12-11-18(16)9-10-19-7-6-8-22(24)21(19)13-14-23(3,4)27-17(2)25/h6-8,11-12,15H,1-5H3
InChIKey QMOZCNFYCAJRSH-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 364.416 g/mol
Reported Formula C23H21O3F
SMILES C1(=C(C(=CC=C1)C#CC1=C(C=C(C=C1)OC)C)C#CC(OC(C)=O)(C)C)F
SPLASH splash10-0pb9-0095000000-35b8cec9e7ec7b9a9a48
Source of Spectrum QE-21-SM55-1w (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.45 (PE/EA, 5:1)
Wiley ID 1907078