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4'-(4-Pinacolatoboronphenyl)-2,2':6',2''-terpyridine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4'-(4-Pinacolatoboronphenyl)-2,2':6',2''-terpyridine
SpectraBase Compound ID ILjkvWXRKAw
InChI InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)21-13-11-19(12-14-21)20-17-24(22-9-5-7-15-29-22)31-25(18-20)23-10-6-8-16-30-23/h5-18H,1-4H3
InChIKey BWPSUMBSVPBLPA-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C27H26BN3O2
Exact Mass 435.211807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PrwdtR5qRj
Name 4'-[4-(Pinacolatoboron)phenyl]-2,2' : 6',2''-terpyridine
Comments Computed using HOSE algorithm
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Exact Mass 435.211807257 u
Formula C27H26BN3O2
InChI InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)21-13-11-19(12-14-21)20-17-24(22-9-5-7-15-29-22)31-25(18-20)23-10-6-8-16-30-23/h5-18H,1-4H3
InChIKey BWPSUMBSVPBLPA-UHFFFAOYSA-N
Molecular Weight 435.334 g/mol
SMILES C1(OB(OC1(C)C)C=1C=CC(C=2C=C(C3=NC=CC=C3)N=C(C2)C=2N=CC=CC2)=CC1)(C)C