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4-(2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl pivalate
SpectraBase Compound ID EbptQsgqVy1
InChI InChI=1S/C25H26O3/c1-24(2,3)23(26)28-25(4,5)18-17-21-10-8-7-9-20(21)14-11-19-12-15-22(27-6)16-13-19/h7-10,12-13,15-16H,1-6H3
InChIKey TVNJEQXHPFYREJ-UHFFFAOYSA-N
Mol Weight 374.48 g/mol
Molecular Formula C25H26O3
Exact Mass 374.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdntER15038
Name 4-(2-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl pivalate
Appearance Colorless solid
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Exact Mass 374.188194694 u
Formula C25H26O3
InChI InChI=1S/C25H26O3/c1-24(2,3)23(26)28-25(4,5)18-17-21-10-8-7-9-20(21)14-11-19-12-15-22(27-6)16-13-19/h7-10,12-13,15-16H,1-6H3
InChIKey TVNJEQXHPFYREJ-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 374.480 g/mol
Quality 303
Reported Formula C22H20O3
SMILES C1=C(C(=CC=C1)C#CC1=CC=C(C=C1)OC)C#CC(OC(C(C)(C)C)=O)(C)C
SPLASH splash10-00g0-1092000000-7b94922d05b317c681c6
Source of Spectrum QE-21-SM43-1d (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.73 (PE/EA, 5:1)
Wiley ID 1907062