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Ethyl 2-(4-fluorophenyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
SpectraBase Compound ID DqMR5KYQyeb
InChI InChI=1S/C18H26BFO4/c1-7-22-15(21)18(6,13-8-10-14(20)11-9-13)12-19-23-16(2,3)17(4,5)24-19/h8-11H,7,12H2,1-6H3
InChIKey UCIQAMQFBDVVIK-UHFFFAOYSA-N
Mol Weight 336.2 g/mol
Molecular Formula C18H26BFO4
Exact Mass 336.190818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIQjOmjfcnk
Name Ethyl 2-(4-fluorophenyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Appearance Colorless oil
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Formula C18H26BFO4
InChI InChI=1S/C18H26BFO4/c1-7-22-15(21)18(6,13-8-10-14(20)11-9-13)12-19-23-16(2,3)17(4,5)24-19/h8-11H,7,12H2,1-6H3
InChIKey UCIQAMQFBDVVIK-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00617
Molecular Weight 336.210 g/mol
Reported Formula C18H26(10)BFO4
SMILES c1cc(C(C)(C(OCC)=O)CB2OC(C(O2)(C)C)(C)C)ccc1F
SPLASH splash10-01q9-9500000000-e0707e39ae0ff9d377fd
Source of Spectrum A1-23-SM19-2e
Thin-Layer Chromatography Rf = 0.35 (silica, petroleum ether/ethyl acetate, 20:1)
Wiley ID 1868171