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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SpectraBase Compound ID FmT9ZPEQLtd
InChI InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChIKey FIGQEPXOSAFKTA-UHFFFAOYSA-N
Mol Weight 229.1 g/mol
Molecular Formula C13H16BNO2
Exact Mass 229.127409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tDDNU9gG0
Name 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Alternate Name(s) 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
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Formula C13H16BNO2
InChI InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChIKey FIGQEPXOSAFKTA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3018878
Molecular Weight 229.086 g/mol
SMILES C1(C)(C(C)(C)OB(c2cccc(c2)C#N)O1)C
SPLASH splash10-01po-1950000000-f91e3513dca8f861211b
Source of Spectrum J-78-1929-4cj
Wiley ID 1745333