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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 BOIwsQuLnPJ
Name 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Appearance Colorless liquid
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Exact Mass 229.127408927 u
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
Ionization Type EI
Literature Reference DOI 10.1021/jo3018878
Molecular Weight 229.086 g/mol
Quality 108
SMILES C=1(C=CC=C(B2OC(C)(C)C(C)(C)O2)C1)C#N
SPLASH splash10-01po-1950000000-0fae730b950cdc0951c7
Source of Spectrum JOC-78-1929-4cj (DOI: 10.1021/jo3018878)
Wiley ID 1912317