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4-(2-(mesitylethynyl)phenyl)-2-methylbut-3-yn-2-yl pivalate
SpectraBase Compound ID 9cpHD7pEOxG
InChI InChI=1S/C27H30O2/c1-19-17-20(2)24(21(3)18-19)14-13-22-11-9-10-12-23(22)15-16-27(7,8)29-25(28)26(4,5)6/h9-12,17-18H,1-8H3
InChIKey UIRNIQYXVFOWQQ-UHFFFAOYSA-N
Mol Weight 386.54 g/mol
Molecular Formula C27H30O2
Exact Mass 386.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5vqZVhsFJa
Name 4-(2-(mesitylethynyl)phenyl)-2-methylbut-3-yn-2-yl pivalate
Appearance Slightly yellow oil
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Formula C27H30O2
InChI InChI=1S/C27H30O2/c1-19-17-20(2)24(21(3)18-19)14-13-22-11-9-10-12-23(22)15-16-27(7,8)29-25(28)26(4,5)6/h9-12,17-18H,1-8H3
InChIKey UIRNIQYXVFOWQQ-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 386.535 g/mol
Reported Formula C27H30O2
SMILES C1=C(C(=CC=C1)C#CC1=C(C=C(C=C1C)C)C)C#CC(OC(C(C)(C)C)=O)(C)C
SPLASH splash10-0f79-0097000000-c197e986ae481fe65e84
Source of Spectrum QE-21-SM56-1y (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.61 (PE/EA, 10:1)
Wiley ID 1907080