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4-(5-fluoro-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID 69DC4sMOTeJ
InChI InChI=1S/C21H17FO2/c1-16(23)24-21(2,3)14-13-19-15-20(22)12-11-18(19)10-9-17-7-5-4-6-8-17/h4-8,11-12,15H,1-3H3
InChIKey RUPCYZYWOGBHDY-UHFFFAOYSA-N
Mol Weight 320.36 g/mol
Molecular Formula C21H17FO2
Exact Mass 320.121258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wjg8ULvhgt
Name 4-(5-fluoro-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Colorless oil
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Exact Mass 320.121257948 u
Formula C21H17FO2
InChI InChI=1S/C21H17FO2/c1-16(23)24-21(2,3)14-13-19-15-20(22)12-11-18(19)10-9-17-7-5-4-6-8-17/h4-8,11-12,15H,1-3H3
InChIKey RUPCYZYWOGBHDY-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 320.363 g/mol
Reported Formula C21H17O2F
SMILES C1=C(C(=CC=C1F)C#CC1=CC=CC=C1)C#CC(OC(C)=O)(C)C
SPLASH splash10-08fr-0090000000-de2f3dd407dbd91e2ff7
Source of Spectrum QE-21-SM51-1q (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.65 (PE/EA, 5:1)
Wiley ID 1907072