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4-Chloro-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)butanenitrile
SpectraBase Compound ID GqMklQrmz3w
InChI InChI=1S/C15H20BClN2O2/c1-14(2)15(3,4)21-16(20-14)12-8-11(9-19-10-12)13(17)6-5-7-18/h8-10,13H,5-6H2,1-4H3
InChIKey NXPCXFKUUHBXMT-UHFFFAOYSA-N
Mol Weight 306.6 g/mol
Molecular Formula C15H20BClN2O2
Exact Mass 306.130636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ds0qFRrFFbV
Name 4-Chloro-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)butanenitrile
Appearance Pale yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20BClN2O2
GC Oven Program Oven temp 300oC
InChI InChI=1S/C15H20BClN2O2/c1-14(2)15(3,4)21-16(20-14)12-8-11(9-19-10-12)13(17)6-5-7-18/h8-10,13H,5-6H2,1-4H3
InChIKey NXPCXFKUUHBXMT-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
Molecular Weight 306.600 g/mol
SMILES C(Cl)(CCC#N)C=1C=NC=C(C1)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-05fr-0090000000-40bf08682964ddbcd9cb
Source of Spectrum K1-2022-SM33-29a (DOI: 10.1002/ejoc.202101280)
Thin-Layer Chromatography 0.09 (cyclohexane/EtOAc, 3:7)
Wiley ID 1898589