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Methyl3''-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1':2',1''-terphenyl]-3-carboxylate
SpectraBase Compound ID JnXOySplWpI
InChI InChI=1S/C26H27BO4/c1-25(2)26(3,4)31-27(30-25)21-13-9-11-19(17-21)23-15-7-6-14-22(23)18-10-8-12-20(16-18)24(28)29-5/h6-17H,1-5H3
InChIKey UUSVAIYOPMYTPD-UHFFFAOYSA-N
Mol Weight 414.3 g/mol
Molecular Formula C26H27BO4
Exact Mass 414.20024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5COdfYFaso
Name Methyl3''-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1':2',1''-terphenyl]-3-carboxylate
Appearance Colorless solid
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Exact Mass 414.200239515 u
Formula C26H27BO4
GC Column Zebron 5 MS Inferno
GC Oven Program Oven temp 350 oC
InChI InChI=1S/C26H27BO4/c1-25(2)26(3,4)31-27(30-25)21-13-9-11-19(17-21)23-15-7-6-14-22(23)18-10-8-12-20(16-18)24(28)29-5/h6-17H,1-5H3
InChIKey UUSVAIYOPMYTPD-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020 SE
Ionization Type EI positive
Literature Reference DOI 10.1002/chem.201503202
Molecular Weight 414.308 g/mol
Reported Formula C26H27BO4
SMILES C1=CC(=CC(=C1)C1=CC=CC=C1C1=CC(=CC=C1)C(=O)OC)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-03e9-0091300000-192a55fd7714fcb35ff0
Source of Spectrum QE-21-SM3-7 (DOI: 10.1002/chem.201503202)
Wiley ID 1909300