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4-NC-C6H4-B-(O2C2ME4)
SpectraBase Compound ID 2FlXCmNQtJN
InChI InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3
InChIKey HOPDTPGXBZCBNP-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 DAGnlicQhRJ
Name 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Carrier Gas Hydrogen
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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)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3
InChIKey HOPDTPGXBZCBNP-UHFFFAOYSA-N
Instrument Name Agilent 6890N GC-5975 MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705326
Molecular Weight 229.086 g/mol
Quality 7
SMILES CC1(C(OB(O1)C1=CC=C(C=C1)C#N)(C)C)C
SPLASH splash10-01ox-0980000000-0dc6f2e7f2996c457bd5
Source of Spectrum QE-24-SM12-12-2 (DOI: 10.1002/chem.201705326)
Wiley ID 1901408