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4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)butanenitrile
SpectraBase Compound ID FswlFU3A771
InChI InChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)13-9-12(10-18-11-13)7-5-6-8-17/h9-11H,5-7H2,1-4H3
InChIKey XNAWSDKAWXAMTC-UHFFFAOYSA-N
Mol Weight 272.2 g/mol
Molecular Formula C15H21BN2O2
Exact Mass 272.169608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBLcvLq9M2O
Name 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)butanenitrile
Appearance Colourless solid
Carrier Gas Helium
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Exact Mass 272.169608092 u
Formula C15H21BN2O2
GC Oven Program Oven temp 300oC
InChI InChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)13-9-12(10-18-11-13)7-5-6-8-17/h9-11H,5-7H2,1-4H3
InChIKey XNAWSDKAWXAMTC-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Aligent Technologies 7890A(G3440A) GC-5975C inert mass sensitive detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101280
Quality 3
SMILES C(CCC#N)C=1C=NC=C(C1)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-00di-0950000000-e75c0a48b4b4641e932b
Source of Spectrum K1-2022-SM33-29 (DOI: 10.1002/ejoc.202101280)
Thin-Layer Chromatography 0.11 (EtOAc/MeOH, 4:1)
Wiley ID 1898590