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4-(4-fluoro-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID 4WPntTghYO1
InChI InChI=1S/C21H17FO2/c1-16(23)24-21(2,3)14-13-18-11-12-20(22)15-19(18)10-9-17-7-5-4-6-8-17/h4-8,11-12,15H,1-3H3
InChIKey CYCYFPCCLVKVFG-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 EFpyqo1jLAG
Name 4-(4-fluoro-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Light yellow solid
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Exact Mass 320.121257948 u
Formula C21H17FO2
InChI InChI=1S/C21H17FO2/c1-16(23)24-21(2,3)14-13-18-11-12-20(22)15-19(18)10-9-17-7-5-4-6-8-17/h4-8,11-12,15H,1-3H3
InChIKey CYCYFPCCLVKVFG-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(=C1)F)C#CC1=CC=CC=C1)C#CC(OC(C)=O)(C)C
SPLASH splash10-08fr-0090000000-dea849c8260f2a609866
Source of Spectrum QE-21-SM52-1r (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.50 (PE/EA, 5:1)
Wiley ID 1907073