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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
SpectraBase Compound ID CEdVs6u7SyU
InChI InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKey IYDKBQIEOBXLTP-UHFFFAOYSA-N
Mol Weight 248.1 g/mol
Molecular Formula C13H17BO4
Exact Mass 248.121989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR7LUiM5dfZ
Name 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid
Appearance Yellow solid
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Exact Mass 248.121989193 u
Formula C13H17BO4
InChI InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKey IYDKBQIEOBXLTP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3018878
Molecular Weight 248.085 g/mol
Quality 81
SMILES OC(C=1C=CC(=CC1)B1OC(C(O1)(C)C)(C)C)=O
SPLASH splash10-01pk-0940000000-0110bd4d5e9185a99d92
Source of Spectrum JOC-78-1927-4bd (DOI: 10.1021/jo3018878)
Wiley ID 1912298