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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

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 Gr4huraj7w1
Name 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/jo3018878
Molecular Weight 248.085 g/mol
SMILES OC(c1ccc(cc1)B1OC(C)(C)C(O1)(C)C)=O
SPLASH splash10-01pk-0940000000-f284e2fbe631b8f0fa9a
Source of Spectrum J-78-1927-4bd
Wiley ID 1745321