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tert-Butyl 2-methyl-2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
SpectraBase Compound ID 4YkydkAue5w
InChI InChI=1S/C20H31BO4/c1-17(2,3)23-16(22)20(8,15-12-10-9-11-13-15)14-21-24-18(4,5)19(6,7)25-21/h9-13H,14H2,1-8H3
InChIKey VGMHYZADDNNXRR-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 EazEQe6YAdA
Name tert-Butyl 2-methyl-2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Appearance Colorless oil
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Formula C20H31BO4
InChI InChI=1S/C20H31BO4/c1-17(2,3)23-16(22)20(8,15-12-10-9-11-13-15)14-21-24-18(4,5)19(6,7)25-21/h9-13H,14H2,1-8H3
InChIKey VGMHYZADDNNXRR-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 C20H31BO4
SMILES c1cc(C(C)(C(OC(C)(C)C)=O)CB2OC(C(O2)(C)C)(C)C)ccc1
SPLASH splash10-01vk-0940000000-00fb920a1cd05ae52b25
Source of Spectrum A1-23-SM18-2c
Thin-Layer Chromatography Rf = 0.35 (silica, petroleum ether/ethyl acetate, 20:1)
Wiley ID 1868169