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2-(4-{[4-(N,N-Dimethylamino)phenyl]ethynyl}phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID AGwuH3T4EQN
InChI InChI=1S/C22H26BNO2/c1-21(2)22(3,4)26-23(25-21)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)24(5)6/h9-16H,1-6H3
InChIKey KOPTYFUFXHVTAV-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C22H26BNO2
Exact Mass 347.205659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErXvDoalxVa
Name 2-(4-{[4-(N,N-Dimethylamino)phenyl]ethynyl}phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Appearance White solid
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Formula C22H26BNO2
InChI InChI=1S/C22H26BNO2/c1-21(2)22(3,4)26-23(25-21)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)24(5)6/h9-16H,1-6H3
InChIKey KOPTYFUFXHVTAV-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.11
Molecular Weight 347.265 g/mol
SMILES c1(B2OC(C(O2)(C)C)(C)C)ccc(cc1)C#Cc1ccc(cc1)N(C)C
SPLASH splash10-0002-0059000000-d9e761df6cbeda2f84a4
Source of Spectrum BJO-5-SM10-6c
Thin-Layer Chromatography Rf = 0.45 (silica gel; hexane/EtOAc, 4:1)
Wiley ID 1871556