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Ethyl 2-phenyl-2-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)pentanoate
SpectraBase Compound ID E8I9oG3ipiN
InChI InChI=1S/C20H31BO4/c1-7-14-20(17(22)23-8-2,16-12-10-9-11-13-16)15-21-24-18(3,4)19(5,6)25-21/h9-13H,7-8,14-15H2,1-6H3
InChIKey QRNNCFFXWVGJGD-UHFFFAOYSA-N
Mol Weight 346.3 g/mol
Molecular Formula C20H31BO4
Exact Mass 346.23154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEj2G8N3QAa
Name Ethyl 2-phenyl-2-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)pentanoate
Appearance Colorless oil
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Formula C20H31BO4
InChI InChI=1S/C20H31BO4/c1-7-14-20(17(22)23-8-2,16-12-10-9-11-13-16)15-21-24-18(3,4)19(5,6)25-21/h9-13H,7-8,14-15H2,1-6H3
InChIKey QRNNCFFXWVGJGD-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00617
Molecular Weight 346.274 g/mol
Reported Formula C20H31(10)BO4
SMILES c1cc(C(CCC)(C(OCC)=O)CB2OC(C(O2)(C)C)(C)C)ccc1
SPLASH splash10-0ul0-0900000000-623108402cd8b073f8fa
Source of Spectrum A1-23-SM25-2q
Thin-Layer Chromatography Rf = 0.35 (silica, petroleum ether/ethyl acetate, 20:1)
Wiley ID 1868182