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4-(4,5-dimethoxy-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID KX3FF1bQicE
InChI InChI=1S/C23H22O4/c1-17(24)27-23(2,3)14-13-20-16-22(26-5)21(25-4)15-19(20)12-11-18-9-7-6-8-10-18/h6-10,15-16H,1-5H3
InChIKey ABMKZJBKTDGQNS-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C23H22O4
Exact Mass 362.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27bzXQGiCMN
Name 4-(4,5-dimethoxy-2-(phenylethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Light yellow oil
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Exact Mass 362.151809184 u
Formula C23H22O4
InChI InChI=1S/C23H22O4/c1-17(24)27-23(2,3)14-13-20-16-22(26-5)21(25-4)15-19(20)12-11-18-9-7-6-8-10-18/h6-10,15-16H,1-5H3
InChIKey ABMKZJBKTDGQNS-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 362.425 g/mol
Reported Formula C23H22O4
SMILES C1=C(C(=CC(=C1OC)OC)C#CC1=CC=CC=C1)C#CC(OC(C)=O)(C)C
SPLASH splash10-0udi-0039000000-5da468c21564c909b736
Source of Spectrum QE-21-SM50-1o (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.28 (PE/EA, 3:1)
Wiley ID 1907071